9-Benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one

HCID 70109792
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Basic information

Standard SMILES
O=C1C2CCCC2Nc2ccccc2N1Cc1ccccc1
InChIKey
BPLHTDAUIJQLAI-UHFFFAOYSA-N
Molecular formula
C19H20N2O
Average molar mass
292.4 g/mol

Names & identifiers

Preferred name
9-Benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
IUPAC
5-benzyl-1,2,3,3a,10,10a-hexahydrocyclopenta[b][1,5]benzodiazepin-4-one

Names & synonyms

SCHEMBL7496118BPLHTDAUIJQLAI-UHFFFAOYSA-N9-Benzyl-2,3,3a,4,9,10a-hexahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one

Database identifiers

PubChem CID
70109792

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
22

Related reactions

6 records
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Compound notes

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