(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one

C7H11NO — CID 172560678

IUPAC(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
SMILESC[C@H]1CC(=O)[C@@H](C)C=N1
InChIInChI=1S/C7H11NO/c1-5-4-8-6(2)3-7(5)9/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyOPDPEZDMVBFQTM-WDSKDSINSA-N
MW125.17 g/mol
LogP1.05
Rot. Bonds

About (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one

(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one (PubChem CID 172560678) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
PubChem CID172560678
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
SMILESC[C@H]1CC(=O)[C@@H](C)C=N1
InChIInChI=1S/C7H11NO/c1-5-4-8-6(2)3-7(5)9/h4-6H,3H2,1-2H3/t5-,6-/m0/s1
InChIKeyOPDPEZDMVBFQTM-WDSKDSINSA-N
XLogP1.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
2-propan-2-yl-4,5-dihydro-2H-pyridin-3-one
CID 57004777
2-methyl-3,5-dihydro-2H-pyridin-4-one
CID 57079119
2-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57208150
1-[(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrol-2-yl]ethanone
CID 89028760
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 130028070
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
CID 130298979
(5S)-5-methyl-3,5-dihydro-2H-pyridin-4-one
CID 151209362
5-methyl-3,5-dihydro-2H-pyridin-4-one
CID 153694980

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one?
The IUPAC name of (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one (CID 172560678) is (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one?
The canonical SMILES for (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one is C[C@H]1CC(=O)[C@@H](C)C=N1.
What is the InChIKey of (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one?
The InChIKey is OPDPEZDMVBFQTM-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-8-6(2)3-7(5)9/h4-6H,3H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one?
(2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one has a molecular weight of 125.17 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-3,5-dihydro-2H-pyridin-4-one is sourced from PubChem (CID 172560678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).