Cas no 868552-08-3 ((3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one)
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one is a bicyclic heterocyclic compound featuring a fused pyrrolidine-pyridinone structure. This scaffold is of significant interest in medicinal chemistry due to its rigid, three-dimensional conformation, which enhances binding selectivity in drug design. The saturated ring system contributes to improved metabolic stability and bioavailability compared to planar aromatic analogs. Its stereochemistry at the 3a and 7a positions allows for precise chiral interactions with biological targets, making it a valuable intermediate for developing enzyme inhibitors or receptor modulators. The compound’s versatility supports applications in synthesizing complex pharmacophores, particularly for central nervous system (CNS) and cardiovascular therapeutics.
![(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one structure](https://ossimg.kuujia.com/scimg/869000/868552-08-3x500.png)
868552-08-3 structure
Product Name:(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one
CAS No:868552-08-3
MF:C7H12N2O
MW:140.182981491089
MDL:MFCD13178725
CID:1119744
PubChem ID:69198641
Update Time:2025-06-09
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one Chemical and Physical Properties
Names and Identifiers
-
- (3aS,7aS)-octahydro-3H-Pyrrolo[3,4-c]pyridin-3-one
- (3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one
- SCHEMBL4806245
- (3ar,7ar)-rel-octahydro-3h-pyrrolo[3,4-c]pyridin-3-one
- (3aS,7aS)-Octahydro-1H-pyrrolo[3,4-c]pyridin-3-one
- 868552-08-3
- CS-0057295
- P11594
- (3AS,7AS)-OCTAHYDROPYRROLO[3,4-C]PYRIDIN-3-ONE
- 3H-Pyrrolo[3,4-c]pyridin-3-one, octahydro-, (3aS,7aS)-
-
- MDL： MFCD13178725
- Inchi： 1S/C7H12N2O/c10-7-6-4-8-2-1-5(6)3-9-7/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m1/s1
- InChI Key： SXNMNJGBKPGDPH-PHDIDXHHSA-N
- SMILES： O=C1[C@@H]2CNCC[C@@H]2CN1
Computed Properties
- Exact Mass: 140.094963011g/mol
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.8
- Topological Polar Surface Area: 41.1?2
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 123939-1g |
(3AS,7aS)-Octahydro-3H-pyrrolo[3,4-c]pyridin-3-one, 95+% |
868552-08-3 | 95+% | 1g |
$6,056.00 | 2021-06-27 | |
| Chemenu | CM397800-250mg |
(3aS,7aS)-Octahydro-3H-pyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 95%+ | 250mg |
$1165 | 2023-01-01 | |
| Alichem | A029200537-1g |
(3aS,7aS)-Octahydro-3H-pyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 95% | 1g |
$2750.00 | 2023-08-31 | |
| eNovation Chemicals LLC | Y1101696-100mg |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 100mg |
$735 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1101696-250MG |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 250mg |
$1230 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1101696-500MG |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 500mg |
$2045 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1101696-1G |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 1g |
$3070 | 2024-07-21 | |
| eNovation Chemicals LLC | Y1101696-5G |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 5g |
$8010 | 2023-09-03 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBN2011594-100MG |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 100MG |
￥ 4,085.00 | 2023-04-13 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBN2011594-250MG |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one |
868552-08-3 | 97% | 250MG |
￥ 6,534.00 | 2023-04-13 |
(3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
868552-08-3 ((3aS,7aS)-1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-3-one) Related Products
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