5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione

HCID 301358
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Basic information

CAS
76447-29-5
Standard SMILES
O=c1[nH]c2ccccc2c(=O)n2cccc12
InChIKey
VUMOEZLRLXJCIQ-UHFFFAOYSA-N
Molecular formula
C12H8N2O2
Average molar mass
212.2 g/mol
Monoisotopic mass
212.0585775

Names & identifiers

Preferred name
5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione
IUPAC
5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Names & synonyms

5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H)-dione76447-29-55H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dioneNSC177993pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dioneSCHEMBL375291SCHEMBL7276765SCHEMBL7428868SCHEMBL14974166DTXSID40306634VUMOEZLRLXJCIQ-UHFFFAOYSA-NNSC-177993
Show more names
5H-pyrrolo [2,1-c] [1,4] benzodiazepin-5,11 -(10H)-dione

Database identifiers

CAS
76447-29-5
PubChem CID
301358
DTXSID
DTXSID40306634
Nikkaji
J824.693I

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
51.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
16

Related reactions

1 records
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Compound notes

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