Basic information
- CAS
64074-64-2- Standard SMILES
O=C1CC(N2CCCC2)=Nc2ccccc2N1Cl- InChIKey
RMMRJSFOELPVLP-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0825398
Names & identifiers
- Preferred name
- 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(1-pyrrolidinyl)chloro-
- IUPAC
- 1-chloro-4-pyrrolidin-1-yl-3H-1,5-benzodiazepin-2-one
Names & synonyms
K 122322H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(1-pyrrolidinyl)chloro-64074-64-2DTXSID902142702,3-Diidro-2-oxo-4-(N-pirrolidil)cloro-1H-1,5-benzodiazepina [Italian]2,3-Diidro-2-oxo-4-(N-pirrolidil)cloro-1H-1,5-benzodiazepinaRefChem:268059DTXCID901367611-Chloro-4-(pyrrolidin-1-yl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one
Database identifiers
- CAS
64074-64-2- PubChem CID
- 3048874
- DTXSID
DTXSID90214270
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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