3-methyl-1,2-dihydropyridine

C6H9N — CID 5248837

IUPAC3-methyl-1,2-dihydropyridine
SMILESCC1=CC=CNC1
InChIInChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2-4,7H,5H2,1H3
InChIKeyBOFGYEXXHNKKLA-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.05
Rot. Bonds

About 3-methyl-1,2-dihydropyridine

3-methyl-1,2-dihydropyridine (PubChem CID 5248837) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methyl-1,2-dihydropyridine
PubChem CID5248837
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3-methyl-1,2-dihydropyridine
SMILESCC1=CC=CNC1
InChIInChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2-4,7H,5H2,1H3
InChIKeyBOFGYEXXHNKKLA-UHFFFAOYSA-N
XLogP1.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-dihydropyridine?
The IUPAC name of 3-methyl-1,2-dihydropyridine (CID 5248837) is 3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-methyl-1,2-dihydropyridine is CC1=CC=CNC1.
What is the InChIKey of 3-methyl-1,2-dihydropyridine?
The InChIKey is BOFGYEXXHNKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-6-3-2-4-7-5-6/h2-4,7H,5H2,1H3.
What are the key properties of 3-methyl-1,2-dihydropyridine?
3-methyl-1,2-dihydropyridine has a molecular weight of 95.14 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 5248837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).