Basic information
- CAS
94409-18-4- Standard SMILES
CN1CCC2CCCCN2CC1=O- InChIKey
NMHUKABQLSIYLC-UHFFFAOYSA-N- Molecular formula
- C10H18N2O
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.1419132
Names & identifiers
- Preferred name
- 3-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one
- IUPAC
- 3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
Names & synonyms
94409-18-4NSC 1309113-Methyloctahydropyrido[1,2-d][1,4]diazepin-4(5H)-one3-Methyloctahydropyrido(1,2-d)(1,4)diazepin-4(5H)-oneNSC1309113-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
Database identifiers
- CAS
94409-18-4- PubChem CID
- 421129
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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