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

C12H10N2 — CID 66697609

IUPAC9H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESC1=CC2=CN=c3ccccc3=CN2C1
InChIInChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-6,8-9H,7H2
InChIKeyMSNVESLISHTIRS-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.77
Rot. Bonds

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

9H-pyrrolo[2,1-c][1,4]benzodiazepine (PubChem CID 66697609) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 9H-pyrrolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name9H-pyrrolo[2,1-c][1,4]benzodiazepine
PubChem CID66697609
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name9H-pyrrolo[2,1-c][1,4]benzodiazepine
SMILESC1=CC2=CN=c3ccccc3=CN2C1
InChIInChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-6,8-9H,7H2
InChIKeyMSNVESLISHTIRS-UHFFFAOYSA-N
XLogP0.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 9H-pyrrolo[2,1-c][1,4]benzodiazepine (CID 66697609) is 9H-pyrrolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 9H-pyrrolo[2,1-c][1,4]benzodiazepine is C1=CC2=CN=c3ccccc3=CN2C1.
What is the InChIKey of 9H-pyrrolo[2,1-c][1,4]benzodiazepine?
The InChIKey is MSNVESLISHTIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13-12/h1-6,8-9H,7H2.
What are the key properties of 9H-pyrrolo[2,1-c][1,4]benzodiazepine?
9H-pyrrolo[2,1-c][1,4]benzodiazepine has a molecular weight of 182.23 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrrolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 66697609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).