1,2,3,5,10,11a-Hexahydro-10-methyl-11H-pyrrolo[2,1-c] [1,4] benzodiazepin-11-one

HCID 54501529
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Basic information

Standard SMILES
CN1C(=O)C2CCCN2Cc2ccccc21
InChIKey
YCTNUSSAVKZNSH-UHFFFAOYSA-N
Molecular formula
C13H16N2O
Average molar mass
216.28 g/mol

Names & identifiers

Preferred name
1,2,3,5,10,11a-Hexahydro-10-methyl-11H-pyrrolo[2,1-c] [1,4] benzodiazepin-11-one
IUPAC
5-methyl-7,8,9,11-tetrahydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-6-one

Names & synonyms

SCHEMBL11859219YCTNUSSAVKZNSH-UHFFFAOYSA-N1,2,3,5,10,11a-hexahydro- 10-methyl-11H-pyrrolo[2,1-c] [1,4]benzodiazepin-11-one1,2,3,5,10,11a-Hexahydro-10 -methyl-11H-pyrrolo[2,1-c] [1,4] benzodiazepin-11-one

Database identifiers

PubChem CID
54501529

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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