4-Methyl dihydropyridine

C6H9N — CID 407036

IUPAC4-methyl-1,2-dihydropyridine
SMILESCC1=CCNC=C1
InChIInChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3
InChIKeyXKRRGRKWUWTEKP-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.10
Rot. Bonds

About 4-Methyl dihydropyridine

4-Methyl dihydropyridine (PubChem CID 407036) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 4-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name4-Methyl dihydropyridine
PubChem CID407036
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name4-methyl-1,2-dihydropyridine
SMILESCC1=CCNC=C1
InChIInChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3
InChIKeyXKRRGRKWUWTEKP-UHFFFAOYSA-N
XLogP1.10
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity111

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-Methyl dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dihydropyridin-1-ium
CID 21954005
Dimethyldihydropyridine
CID 424460
Dihydropicoline
CID 5246423
1,4-Dimethyl-1,2-dihydropyridine
CID 13496664
2-Methyl picoline
CID 18347293
Hydrochloric acid dihydropyridine
CID 20068859
2-Methyl-2-vinylpyridine
CID 20131521
2-Amino-4-methylpicoline
CID 21505664
p-Dimethyl-aminopyridine
CID 67455024
1h-Pyridinium chloride
CID 129796510
4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259

Frequently Asked Questions

What is the IUPAC name of 4-Methyl dihydropyridine?
The IUPAC name of 4-Methyl dihydropyridine (CID 407036) is 4-methyl-1,2-dihydropyridine.
What is the SMILES notation for 4-Methyl dihydropyridine?
The canonical SMILES for 4-Methyl dihydropyridine is CC1=CCNC=C1.
What is the InChIKey of 4-Methyl dihydropyridine?
The InChIKey is XKRRGRKWUWTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6-2-4-7-5-3-6/h2-4,7H,5H2,1H3.
What are the key properties of 4-Methyl dihydropyridine?
4-Methyl dihydropyridine has a molecular weight of 95.14 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methyl dihydropyridine is sourced from PubChem (CID 407036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).