6-methyl-3,4-dihydro-2H-pyridin-5-one

C6H9NO — CID 56972721

IUPAC6-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1=NCCCC1=O
InChIInChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h2-4H2,1H3
InChIKeyJSLAOZYDIINKAF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.81
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-pyridin-5-one

6-methyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 56972721) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID56972721
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name6-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1=NCCCC1=O
InChIInChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h2-4H2,1H3
InChIKeyJSLAOZYDIINKAF-UHFFFAOYSA-N
XLogP0.81
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 6-methyl-3,4-dihydro-2H-pyridin-5-one (CID 56972721) is 6-methyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-pyridin-5-one is CC1=NCCCC1=O.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is JSLAOZYDIINKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h2-4H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-pyridin-5-one?
6-methyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 56972721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).