Cas no 161691-23-2 (3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-, (7aS)-)
161691-23-2 structure
Product Name:3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-, (7aS)-
CAS No:161691-23-2
MF:C7H9NO
MW:123.152461767197
CID:109806
PubChem ID:11029828
Update Time:2025-04-18
3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-, (7aS)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-, (7aS)-
- (7aS)-5,6,7,7a-tetrahydro-3H-Pyrrolizin-3-one
- 3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-,(7aS)-(9CI)
- 161691-23-2
- (S)-2,3-Dihydro-1H-pyrrolizin-5(7aH)-one
- (8S)-5,6,7,8-Tetrahydropyrrolizin-3-one
- Pyrrolam A
- (S)-Pyrrolam A
-
- Inchi： 1S/C7H9NO/c9-7-4-3-6-2-1-5-8(6)7/h3-4,6H,1-2,5H2/t6-/m0/s1
- InChI Key： FVZBHZCORGROSI-LURJTMIESA-N
- SMILES： O=C1C=C[C@@H]2CCCN21
Computed Properties
- Exact Mass: 123.06847
- Monoisotopic Mass: 123.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-, (7aS)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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