(7As)-5,6-bis(methylene)hexahydro-3H-pyrrolizin-3-one
Basic information
- CAS
216172-36-0- Standard SMILES
C=C1C[C@@H]2CCC(=O)N2C1=C- InChIKey
IENWNYTUOVEKCB-QMMMGPOBSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- (7As)-5,6-bis(methylene)hexahydro-3H-pyrrolizin-3-one
- IUPAC
- (8S)-5,6-dimethylidene-1,2,7,8-tetrahydropyrrolizin-3-one
- English name
- 3H-Pyrrolizin-3-one,hexahydro-5,6-bis(methylene)-,(7aS)-(9CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
216172-36-0DB-235241(7As)-5,6-bis(methylene)hexahydro-3H-pyrrolizin-3-one3H-Pyrrolizin-3-one, hexahydro-5,6-bis(methylene)-, (7aS)-3H-Pyrrolizin-3-one,hexahydro-5,6-bis(methylene)-,(7aS)-(9CI)
Database identifiers
- CAS
216172-36-0- PubChem CID
- 45088243
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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