8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione

C12H8N2O2 — CID 155292870

IUPAC8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
SMILESO=C1N=c2ccccc2=CN2C(=O)CC=C12
InChIInChI=1S/C12H8N2O2/c15-11-6-5-10-12(16)13-9-4-2-1-3-8(9)7-14(10)11/h1-5,7H,6H2
InChIKeyQOZGUMFPSYABGE-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.30
Rot. Bonds

About 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione

8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione (PubChem CID 155292870) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione.

Molecular Properties

Compound Name8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
PubChem CID155292870
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione
SMILESO=C1N=c2ccccc2=CN2C(=O)CC=C12
InChIInChI=1S/C12H8N2O2/c15-11-6-5-10-12(16)13-9-4-2-1-3-8(9)7-14(10)11/h1-5,7H,6H2
InChIKeyQOZGUMFPSYABGE-UHFFFAOYSA-N
XLogP-0.30
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dihydropyrrolo[1,2-d][1,4]benzodiazepin-6-one
CID 129872445
12aH-indolo[2,3-a]quinolizin-4-one
CID 57285685
7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
CID 67435726
9H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
CID 67435730
7H-pyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
CID 69156847
9H-pyrrolo[2,1-c][1,4]benzodiazepine-9-carboxamide
CID 69156848
3H-pyrrolo[1,2-d][1,4]benzodiazepine-9-carboxamide
CID 153432811
9H-pyrrolo[2,1-c][1,4]benzodiazepine-7-carboxamide
CID 153735861
3-(9H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
CID 154311435
2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide
CID 158880735
2,10,13,16-Tetrazatetracyclo[9.8.0.02,8.014,19]nonadeca-1(19),3,5,7,10,12,14,16-octaen-9-one
CID 171853619

Frequently Asked Questions

What is the IUPAC name of 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione?
The IUPAC name of 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione (CID 155292870) is 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione.
What is the SMILES notation for 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione?
The canonical SMILES for 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione is O=C1N=c2ccccc2=CN2C(=O)CC=C12.
What is the InChIKey of 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione?
The InChIKey is QOZGUMFPSYABGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-11-6-5-10-12(16)13-9-4-2-1-3-8(9)7-14(10)11/h1-5,7H,6H2.
What are the key properties of 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione?
8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione has a molecular weight of 212.21 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrrolo[2,1-c][1,4]benzodiazepine-6,9-dione is sourced from PubChem (CID 155292870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).