2-methyl-2,3-dihydro-1H-pyridin-4-one

C6H9NO — CID 10953453

IUPAC2-methyl-2,3-dihydro-1H-pyridin-4-one
SMILESCC1CC(=O)C=CN1
InChIInChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-3,5,7H,4H2,1H3
InChIKeyYDYIQSNDNIDHTG-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.45
Rot. Bonds

About 2-methyl-2,3-dihydro-1H-pyridin-4-one

2-methyl-2,3-dihydro-1H-pyridin-4-one (PubChem CID 10953453) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1H-pyridin-4-one
PubChem CID10953453
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methyl-2,3-dihydro-1H-pyridin-4-one
SMILESCC1CC(=O)C=CN1
InChIInChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-3,5,7H,4H2,1H3
InChIKeyYDYIQSNDNIDHTG-UHFFFAOYSA-N
XLogP0.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-Tetrahydropyridin-4-one
CID 12223638
2-Ethenyl-1,2,3,4-tetrahydropyridin-4-one
CID 15110349
2,2-Dimethyl-2,3-dihydropyridin-4(1H)-one
CID 55287192
1,2,3,4-Tetrahydroazepin-5-one
CID 55288089
2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-4-one
CID 140266118
(2S)-2-(trifluoromethyl)-2,3-dihydro-1H-pyridin-4-one
CID 150322362
2-propan-2-yl-2,3-dihydro-1H-pyridin-4-one
CID 12184065
2-tert-butyl-2,3-dihydro-1H-pyridin-4-one
CID 12184066
2-Butyl-2,3-dihydro-4(1H)-pyridinone
CID 12184067
(Z)-1-(propan-2-ylamino)hept-1-en-3-one
CID 51357621
(2R)-2-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyridin-4-one
CID 55300664
1,2-Dimethyl-2,3-dihydropyridin-4-one
CID 12991519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of 2-methyl-2,3-dihydro-1H-pyridin-4-one (CID 10953453) is 2-methyl-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-2,3-dihydro-1H-pyridin-4-one is CC1CC(=O)C=CN1.
What is the InChIKey of 2-methyl-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is YDYIQSNDNIDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-4-6(8)2-3-7-5/h2-3,5,7H,4H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1H-pyridin-4-one?
2-methyl-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 111.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 10953453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).