Basic information
- Standard SMILES
Cc1c[nH]c2c1C(=O)NCCC2- InChIKey
IPNSBZLAXAXGEO-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
Names & identifiers
- Preferred name
- 3-methyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4(1H)-one
- IUPAC
- 3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
Names & synonyms
SCHEMBL29049545IPNSBZLAXAXGEO-UHFFFAOYSA-N3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one3-methyl-5,6,7,8-tetrahydropyrrolo[3,2-c]azepin-4(1H)-one1934525-22-0
Database identifiers
- PubChem CID
- 86702109
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Related reactions
2 records
Compound notes
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