4-Cyclobutylmethyl-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Basic information
- CAS
258849-84-2- Standard SMILES
CC1C(=O)Nc2ccccc2CN1CC1CCC1- InChIKey
NFIVNLCCTFCAMV-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- 4-Cyclobutylmethyl-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
- IUPAC
- 4-(cyclobutylmethyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-84-24-Cyclobutylmethyl-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 4-(cyclobutylmethyl)-1,3,4,5-tetrahydro-3-methyl-DTXSID009487714-(cyclobutylmethyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one4-(Cyclobutylmethyl)-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-ol
Database identifiers
- CAS
258849-84-2- PubChem CID
- 475609
- DTXSID
DTXSID00948771
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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