9,10-dihydrocyclohepta[b]indole-4-carboxamide

C14H12N2O — CID 167434467

IUPAC9,10-dihydrocyclohepta[b]indole-4-carboxamide
SMILESNC(=O)c1cccc2c1=NC1=CC=CCCC=21
InChIInChI=1S/C14H12N2O/c15-14(17)11-7-4-6-10-9-5-2-1-3-8-12(9)16-13(10)11/h1,3-4,6-8H,2,5H2,(H2,15,17)
InChIKeyGZOMPCCWNYDFNN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.80
Rot. Bonds1

About 9,10-dihydrocyclohepta[b]indole-4-carboxamide

9,10-dihydrocyclohepta[b]indole-4-carboxamide (PubChem CID 167434467) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 9,10-dihydrocyclohepta[b]indole-4-carboxamide.

Molecular Properties

Compound Name9,10-dihydrocyclohepta[b]indole-4-carboxamide
PubChem CID167434467
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name9,10-dihydrocyclohepta[b]indole-4-carboxamide
SMILESNC(=O)c1cccc2c1=NC1=CC=CCCC=21
InChIInChI=1S/C14H12N2O/c15-14(17)11-7-4-6-10-9-5-2-1-3-8-12(9)16-13(10)11/h1,3-4,6-8H,2,5H2,(H2,15,17)
InChIKeyGZOMPCCWNYDFNN-UHFFFAOYSA-N
XLogP0.80
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9,10-dihydrocyclohepta[b]indole-4-carboxamide 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 9,10-dihydrocyclohepta[b]indole-4-carboxamide?
The IUPAC name of 9,10-dihydrocyclohepta[b]indole-4-carboxamide (CID 167434467) is 9,10-dihydrocyclohepta[b]indole-4-carboxamide.
What is the SMILES notation for 9,10-dihydrocyclohepta[b]indole-4-carboxamide?
The canonical SMILES for 9,10-dihydrocyclohepta[b]indole-4-carboxamide is NC(=O)c1cccc2c1=NC1=CC=CCCC=21.
What is the InChIKey of 9,10-dihydrocyclohepta[b]indole-4-carboxamide?
The InChIKey is GZOMPCCWNYDFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-14(17)11-7-4-6-10-9-5-2-1-3-8-12(9)16-13(10)11/h1,3-4,6-8H,2,5H2,(H2,15,17).
What are the key properties of 9,10-dihydrocyclohepta[b]indole-4-carboxamide?
9,10-dihydrocyclohepta[b]indole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydrocyclohepta[b]indole-4-carboxamide is sourced from PubChem (CID 167434467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).