3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one

C18H19NO3 — CID 82520976

IUPAC3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
SMILESCC(=O)c1ccc(-c2ccccc2)n(CC2CCCO2)c1=O
InChIInChI=1S/C18H19NO3/c1-13(20)16-9-10-17(14-6-3-2-4-7-14)19(18(16)21)12-15-8-5-11-22-15/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3
InChIKeyZIWCMVAQLWPEFB-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.90
Rot. Bonds4

About 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one

3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one (PubChem CID 82520976) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
PubChem CID82520976
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one
SMILESCC(=O)c1ccc(-c2ccccc2)n(CC2CCCO2)c1=O
InChIInChI=1S/C18H19NO3/c1-13(20)16-9-10-17(14-6-3-2-4-7-14)19(18(16)21)12-15-8-5-11-22-15/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3
InChIKeyZIWCMVAQLWPEFB-UHFFFAOYSA-N
XLogP2.90
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522716
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
N-(4-acetylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1169947
N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 42084151
3-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 51319699
1-[4-methoxy-3-[[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylmethyl]phenyl]ethanone
CID 46694675
(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 30943083
N-(4-acetylphenyl)-3-oxo-5-[[(2S)-oxolan-2-yl]methyl]-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
CID 92522852
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-propylacetamide
CID 17440346
N-[3-(oxolan-2-ylmethyl)-4-phenyl-2-phenylimino-1,3-thiazol-5-yl]acetamide
CID 44615155
(2R)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 40790828

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one?
The IUPAC name of 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one (CID 82520976) is 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one is CC(=O)c1ccc(-c2ccccc2)n(CC2CCCO2)c1=O.
What is the InChIKey of 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one?
The InChIKey is ZIWCMVAQLWPEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(20)16-9-10-17(14-6-3-2-4-7-14)19(18(16)21)12-15-8-5-11-22-15/h2-4,6-7,9-10,15H,5,8,11-12H2,1H3.
What are the key properties of 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one?
3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one has a molecular weight of 297.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(oxolan-2-ylmethyl)-6-phenylpyridin-2-one is sourced from PubChem (CID 82520976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).