2-methyl-3,4-dihydropyridine

C6H9N — CID 14979252

IUPAC2-methyl-3,4-dihydropyridine
SMILESCC1=NC=CCC1
InChIInChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h3,5H,2,4H2,1H3
InChIKeyJROBFWKJNLEUMD-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.75
Rot. Bonds

About 2-methyl-3,4-dihydropyridine

2-methyl-3,4-dihydropyridine (PubChem CID 14979252) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-3,4-dihydropyridine
PubChem CID14979252
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2-methyl-3,4-dihydropyridine
SMILESCC1=NC=CCC1
InChIInChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h3,5H,2,4H2,1H3
InChIKeyJROBFWKJNLEUMD-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydropyridine?
The IUPAC name of 2-methyl-3,4-dihydropyridine (CID 14979252) is 2-methyl-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-3,4-dihydropyridine is CC1=NC=CCC1.
What is the InChIKey of 2-methyl-3,4-dihydropyridine?
The InChIKey is JROBFWKJNLEUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6-4-2-3-5-7-6/h3,5H,2,4H2,1H3.
What are the key properties of 2-methyl-3,4-dihydropyridine?
2-methyl-3,4-dihydropyridine has a molecular weight of 95.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydropyridine is sourced from PubChem (CID 14979252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).