1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one

C14H13NO2 — CID 62018988

IUPAC1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
SMILESCc1ccccc1C(=O)Cn1ccccc1=O
InChIInChI=1S/C14H13NO2/c1-11-6-2-3-7-12(11)13(16)10-15-9-5-4-8-14(15)17/h2-9H,10H2,1H3
InChIKeyHBUXBYMFWYUVPQ-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one

1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 62018988) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
PubChem CID62018988
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
SMILESCc1ccccc1C(=O)Cn1ccccc1=O
InChIInChI=1S/C14H13NO2/c1-11-6-2-3-7-12(11)13(16)10-15-9-5-4-8-14(15)17/h2-9H,10H2,1H3
InChIKeyHBUXBYMFWYUVPQ-UHFFFAOYSA-N
XLogP2.04
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 62024868
1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 3802743
1-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581489
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
5-ethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66330314
5-bromo-1-[2-(2-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 63776539
1-cyclopropyl-3-[2-(2-methylphenyl)-2-oxoethyl]imidazol-2-one
CID 80581341
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986833
3,4-dimethyl-1-[2-(2-methylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 79181540
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 3613551
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
1-[2-(2-methylphenyl)-2-oxoethyl]azepane-2,7-dione
CID 62024351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one (CID 62018988) is 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one is Cc1ccccc1C(=O)Cn1ccccc1=O.
What is the InChIKey of 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is HBUXBYMFWYUVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-11-6-2-3-7-12(11)13(16)10-15-9-5-4-8-14(15)17/h2-9H,10H2,1H3.
What are the key properties of 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one?
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 227.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62018988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).