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

C6H9NO — CID 67075998

IUPAC4-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1CCN=CC1=O
InChIInChI=1S/C6H9NO/c1-5-2-3-7-4-6(5)8/h4-5H,2-3H2,1H3
InChIKeyHRKUKUBURLJTPU-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds

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

4-methyl-3,4-dihydro-2H-pyridin-5-one (PubChem CID 67075998) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-methyl-3,4-dihydro-2H-pyridin-5-one.

Molecular Properties

Compound Name4-methyl-3,4-dihydro-2H-pyridin-5-one
PubChem CID67075998
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-methyl-3,4-dihydro-2H-pyridin-5-one
SMILESCC1CCN=CC1=O
InChIInChI=1S/C6H9NO/c1-5-2-3-7-4-6(5)8/h4-5H,2-3H2,1H3
InChIKeyHRKUKUBURLJTPU-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydro-2H-pyridin-5-one?
The IUPAC name of 4-methyl-3,4-dihydro-2H-pyridin-5-one (CID 67075998) is 4-methyl-3,4-dihydro-2H-pyridin-5-one.
What is the SMILES notation for 4-methyl-3,4-dihydro-2H-pyridin-5-one?
The canonical SMILES for 4-methyl-3,4-dihydro-2H-pyridin-5-one is CC1CCN=CC1=O.
What is the InChIKey of 4-methyl-3,4-dihydro-2H-pyridin-5-one?
The InChIKey is HRKUKUBURLJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-7-4-6(5)8/h4-5H,2-3H2,1H3.
What are the key properties of 4-methyl-3,4-dihydro-2H-pyridin-5-one?
4-methyl-3,4-dihydro-2H-pyridin-5-one has a molecular weight of 111.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydro-2H-pyridin-5-one is sourced from PubChem (CID 67075998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).