1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile

C11H8N2O — CID 15078652

IUPAC1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile
SMILESCn1c2cccccc-2c(C#N)c1=O
InChIInChI=1S/C11H8N2O/c1-13-10-6-4-2-3-5-8(10)9(7-12)11(13)14/h2-6H,1H3
InChIKeyZQFWSDKXDHACGX-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.36
Rot. Bonds

About 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile

1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile (PubChem CID 15078652) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile
PubChem CID15078652
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile
SMILESCn1c2cccccc-2c(C#N)c1=O
InChIInChI=1S/C11H8N2O/c1-13-10-6-4-2-3-5-8(10)9(7-12)11(13)14/h2-6H,1H3
InChIKeyZQFWSDKXDHACGX-UHFFFAOYSA-N
XLogP1.36
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile 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 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile?
The IUPAC name of 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile (CID 15078652) is 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile?
The canonical SMILES for 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile is Cn1c2cccccc-2c(C#N)c1=O.
What is the InChIKey of 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile?
The InChIKey is ZQFWSDKXDHACGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-13-10-6-4-2-3-5-8(10)9(7-12)11(13)14/h2-6H,1H3.
What are the key properties of 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile?
1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxocyclohepta[b]pyrrole-3-carbonitrile is sourced from PubChem (CID 15078652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).