4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one

C12H15NO3 — CID 104751404

IUPAC4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
SMILESCc1ccn(CC(=O)C2CCOC2)c(=O)c1
InChIInChI=1S/C12H15NO3/c1-9-2-4-13(12(15)6-9)7-11(14)10-3-5-16-8-10/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeySCGKXNPWXSXPGY-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.76
Rot. Bonds3

About 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one

4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one (PubChem CID 104751404) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
PubChem CID104751404
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one
SMILESCc1ccn(CC(=O)C2CCOC2)c(=O)c1
InChIInChI=1S/C12H15NO3/c1-9-2-4-13(12(15)6-9)7-11(14)10-3-5-16-8-10/h2,4,6,10H,3,5,7-8H2,1H3
InChIKeySCGKXNPWXSXPGY-UHFFFAOYSA-N
XLogP0.76
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
CID 62986607
2-[2-oxo-2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 104751388
2-(3-methylphenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 66087155
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
2-(N-ethyl-3-methylanilino)-1-(oxolan-3-yl)ethanone
CID 113448721
2-(2,5-dimethylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756231
5-bromo-3-[2-oxo-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104693559
1-cyclopropyl-2-(6-methylindol-1-yl)ethanone
CID 63914817
5-bromo-2-methyl-3-[2-oxo-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104751512
2-[(3-methylphenyl)methylsulfinyl]-1-(oxolan-3-yl)ethanone
CID 104756207
2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
CID 104751613
5-methyl-1-[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 122117300

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one (CID 104751404) is 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one is Cc1ccn(CC(=O)C2CCOC2)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one?
The InChIKey is SCGKXNPWXSXPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-2-4-13(12(15)6-9)7-11(14)10-3-5-16-8-10/h2,4,6,10H,3,5,7-8H2,1H3.
What are the key properties of 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one?
4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-oxo-2-(oxolan-3-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 104751404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).