6-methyl-2,3-dihydropyridine-2-carbonitrile

C7H8N2 — CID 89073533

IUPAC6-methyl-2,3-dihydropyridine-2-carbonitrile
SMILESCC1=NC(C#N)CC=C1
InChIInChI=1S/C7H8N2/c1-6-3-2-4-7(5-8)9-6/h2-3,7H,4H2,1H3
InChIKeyZDAOEECCRKSHHV-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.30
Rot. Bonds

About 6-methyl-2,3-dihydropyridine-2-carbonitrile

6-methyl-2,3-dihydropyridine-2-carbonitrile (PubChem CID 89073533) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6-methyl-2,3-dihydropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-methyl-2,3-dihydropyridine-2-carbonitrile
PubChem CID89073533
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6-methyl-2,3-dihydropyridine-2-carbonitrile
SMILESCC1=NC(C#N)CC=C1
InChIInChI=1S/C7H8N2/c1-6-3-2-4-7(5-8)9-6/h2-3,7H,4H2,1H3
InChIKeyZDAOEECCRKSHHV-UHFFFAOYSA-N
XLogP1.30
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,3-dihydropyridine-2-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 6-methyl-2,3-dihydropyridine-2-carbonitrile?
The IUPAC name of 6-methyl-2,3-dihydropyridine-2-carbonitrile (CID 89073533) is 6-methyl-2,3-dihydropyridine-2-carbonitrile.
What is the SMILES notation for 6-methyl-2,3-dihydropyridine-2-carbonitrile?
The canonical SMILES for 6-methyl-2,3-dihydropyridine-2-carbonitrile is CC1=NC(C#N)CC=C1.
What is the InChIKey of 6-methyl-2,3-dihydropyridine-2-carbonitrile?
The InChIKey is ZDAOEECCRKSHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-3-2-4-7(5-8)9-6/h2-3,7H,4H2,1H3.
What are the key properties of 6-methyl-2,3-dihydropyridine-2-carbonitrile?
6-methyl-2,3-dihydropyridine-2-carbonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydropyridine-2-carbonitrile is sourced from PubChem (CID 89073533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).