1-ethyl-3-(2-methylpropyl)pyridin-2-one

C11H17NO — CID 165138729

IUPAC1-ethyl-3-(2-methylpropyl)pyridin-2-one
SMILESCCn1cccc(CC(C)C)c1=O
InChIInChI=1S/C11H17NO/c1-4-12-7-5-6-10(11(12)13)8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyBMBFAYAQTQVUBC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.07
Rot. Bonds3

About 1-ethyl-3-(2-methylpropyl)pyridin-2-one

1-ethyl-3-(2-methylpropyl)pyridin-2-one (PubChem CID 165138729) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-methylpropyl)pyridin-2-one
PubChem CID165138729
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-ethyl-3-(2-methylpropyl)pyridin-2-one
SMILESCCn1cccc(CC(C)C)c1=O
InChIInChI=1S/C11H17NO/c1-4-12-7-5-6-10(11(12)13)8-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyBMBFAYAQTQVUBC-UHFFFAOYSA-N
XLogP2.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-Dimethylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 53522342
N,1-dimethyl-N-[(2S)-4-methylpentan-2-yl]-6-oxopyridine-3-carboxamide
CID 93619252
1-Ethyl-5-fluoro-3-(2-methylpentan-2-yl)pyridin-2-one
CID 154966362
3-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 155010294
3-Butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
CID 178099166
1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
1-(2,2-Difluoroethyl)-3-propan-2-ylpyridin-2-one
CID 178099301
5-Fluoro-3-propan-2-yl-1-propylpyridin-2-one
CID 178099392
3-Butan-2-yl-1-(2,2-difluoroethyl)-5-fluoropyridin-2-one
CID 178099450
2,7-Dimethyl-5,8-dihydroisoquinolin-1-one
CID 134987030
(4S)-1-methyl-4-[(3S)-1-methyl-6-oxo-2,3-dihydropyridin-3-yl]-3,4-dihydropyridin-2-one
CID 146164646
5-fluoro-N,6-dimethyl-N-(2-methylpropyl)cyclohepta-1,3,5-triene-1-carboxamide
CID 142265407

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(2-methylpropyl)pyridin-2-one (CID 165138729) is 1-ethyl-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(2-methylpropyl)pyridin-2-one is CCn1cccc(CC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is BMBFAYAQTQVUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-12-7-5-6-10(11(12)13)8-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-methylpropyl)pyridin-2-one?
1-ethyl-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 165138729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).