2-methyl-1-azacyclohepta-2,3,5,7-tetraene

C7H7N — CID 91375628

IUPAC2-methyl-1-azacyclohepta-2,3,5,7-tetraene
SMILESCC1=C=CC=CC=N1
InChIInChI=1S/C7H7N/c1-7-5-3-2-4-6-8-7/h2-4,6H,1H3
InChIKeyOBQQNUDEGOKZRV-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.69
Rot. Bonds

About 2-methyl-1-azacyclohepta-2,3,5,7-tetraene

2-methyl-1-azacyclohepta-2,3,5,7-tetraene (PubChem CID 91375628) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-methyl-1-azacyclohepta-2,3,5,7-tetraene.

Molecular Properties

Compound Name2-methyl-1-azacyclohepta-2,3,5,7-tetraene
PubChem CID91375628
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2-methyl-1-azacyclohepta-2,3,5,7-tetraene
SMILESCC1=C=CC=CC=N1
InChIInChI=1S/C7H7N/c1-7-5-3-2-4-6-8-7/h2-4,6H,1H3
InChIKeyOBQQNUDEGOKZRV-UHFFFAOYSA-N
XLogP1.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-azacyclohepta-2,3,5,7-tetraene 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 2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
The IUPAC name of 2-methyl-1-azacyclohepta-2,3,5,7-tetraene (CID 91375628) is 2-methyl-1-azacyclohepta-2,3,5,7-tetraene.
What is the SMILES notation for 2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
The canonical SMILES for 2-methyl-1-azacyclohepta-2,3,5,7-tetraene is CC1=C=CC=CC=N1.
What is the InChIKey of 2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
The InChIKey is OBQQNUDEGOKZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-7-5-3-2-4-6-8-7/h2-4,6H,1H3.
What are the key properties of 2-methyl-1-azacyclohepta-2,3,5,7-tetraene?
2-methyl-1-azacyclohepta-2,3,5,7-tetraene has a molecular weight of 105.14 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-azacyclohepta-2,3,5,7-tetraene is sourced from PubChem (CID 91375628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).