Cas no 113727-94-9 (5,6,7,7a-tetrahydro-3H-Pyrrolizin-3-one)
113727-94-9 structure
Product Name:5,6,7,7a-tetrahydro-3H-Pyrrolizin-3-one
CAS No:113727-94-9
MF:C7H9NO
MW:123.152461767197
CID:106099
PubChem ID:16747700
Update Time:2025-04-18
5,6,7,7a-tetrahydro-3H-Pyrrolizin-3-one Chemical and Physical Properties
Names and Identifiers
-
- 5,6,7,7a-tetrahydro-3H-Pyrrolizin-3-one
- 3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-
- 3H-Pyrrolizin-3-one,5,6,7,7a-tetrahydro-(9CI)
- 2,5,6,7-tetrahydro-3H-pyrrolizin-3-one
- 5,6,7,7a-Tetrahydro-3H-pyrrolizin-3-on
- 5,6,7,8-Tetrahydropyrrolizin-3-one
- Pyrrolam A
- SCHEMBL4637445
- 113727-94-9
-
- Inchi： 1S/C7H9NO/c9-7-4-3-6-2-1-5-8(6)7/h3-4,6H,1-2,5H2
- InChI Key： FVZBHZCORGROSI-UHFFFAOYSA-N
- SMILES： O=C1C=CC2CCCN21
Computed Properties
- Exact Mass: 123.06800
- 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: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31000
- LogP: 0.48510
5,6,7,7a-tetrahydro-3H-Pyrrolizin-3-one Related Literature
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Chinmay Bhat,Santosh G. Tilve RSC Adv. 2014 4 5405
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Yu-ki Tahara,Masamichi Michino,Mamoru Ito,Kyalo Stephen Kanyiva,Takanori Shibata Chem. Commun. 2015 51 16660
-
Jeremy Robertson,Kiri Stevens Nat. Prod. Rep. 2014 31 1721
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Jeremy Robertson,Kiri Stevens Nat. Prod. Rep. 2017 34 62
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Bao-Juan Wang,Ping Xue,Peiming Gu Chem. Commun. 2015 51 2277
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