1,7-dimethylcyclohepta[c]pyridine

C12H11N — CID 123390819

IUPAC1,7-dimethylcyclohepta[c]pyridine
SMILESCC1=CC=c2ccnc(C)c2=C=C1
InChIInChI=1S/C12H11N/c1-9-3-5-11-7-8-13-10(2)12(11)6-4-9/h3-5,7-8H,1-2H3
InChIKeyHJFHEOOCUVRCAN-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.07
Rot. Bonds

About 1,7-dimethylcyclohepta[c]pyridine

1,7-dimethylcyclohepta[c]pyridine (PubChem CID 123390819) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,7-dimethylcyclohepta[c]pyridine.

Molecular Properties

Compound Name1,7-dimethylcyclohepta[c]pyridine
PubChem CID123390819
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1,7-dimethylcyclohepta[c]pyridine
SMILESCC1=CC=c2ccnc(C)c2=C=C1
InChIInChI=1S/C12H11N/c1-9-3-5-11-7-8-13-10(2)12(11)6-4-9/h3-5,7-8H,1-2H3
InChIKeyHJFHEOOCUVRCAN-UHFFFAOYSA-N
XLogP1.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,7-dimethylcyclohepta[c]pyridine 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 1,7-dimethylcyclohepta[c]pyridine?
The IUPAC name of 1,7-dimethylcyclohepta[c]pyridine (CID 123390819) is 1,7-dimethylcyclohepta[c]pyridine.
What is the SMILES notation for 1,7-dimethylcyclohepta[c]pyridine?
The canonical SMILES for 1,7-dimethylcyclohepta[c]pyridine is CC1=CC=c2ccnc(C)c2=C=C1.
What is the InChIKey of 1,7-dimethylcyclohepta[c]pyridine?
The InChIKey is HJFHEOOCUVRCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-9-3-5-11-7-8-13-10(2)12(11)6-4-9/h3-5,7-8H,1-2H3.
What are the key properties of 1,7-dimethylcyclohepta[c]pyridine?
1,7-dimethylcyclohepta[c]pyridine has a molecular weight of 169.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylcyclohepta[c]pyridine is sourced from PubChem (CID 123390819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).