1-(2-oxo-1-pyridinyl)ethyl acetate

C9H11NO3 — CID 174565058

IUPAC1-(2-oxo-1-pyridinyl)ethyl acetate
SMILESCC(=O)OC(C)n1ccccc1=O
InChIInChI=1S/C9H11NO3/c1-7(13-8(2)11)10-6-4-3-5-9(10)12/h3-7H,1-2H3
InChIKeyANJHXLYULQTYKO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.93
Rot. Bonds2

About 1-(2-oxo-1-pyridinyl)ethyl acetate

1-(2-oxo-1-pyridinyl)ethyl acetate (PubChem CID 174565058) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(2-oxo-1-pyridinyl)ethyl acetate.

Molecular Properties

Compound Name1-(2-oxo-1-pyridinyl)ethyl acetate
PubChem CID174565058
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(2-oxo-1-pyridinyl)ethyl acetate
SMILESCC(=O)OC(C)n1ccccc1=O
InChIInChI=1S/C9H11NO3/c1-7(13-8(2)11)10-6-4-3-5-9(10)12/h3-7H,1-2H3
InChIKeyANJHXLYULQTYKO-UHFFFAOYSA-N
XLogP0.93
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate
CID 174390242
ethyl (2S)-2-(2-oxo-1-pyridinyl)propanoate
CID 66650045
1-(2-oxo-1-pyridinyl)pentan-3-yl acetate
CID 20632107
1-[3,5-bis(1-acetyloxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl acetate
CID 139833645
(2-oxo-1-pyridinyl) propan-2-yl carbonate
CID 59672521
2-(2-oxo-1-pyridinyl)pentanoic acid
CID 82032055
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
1-(1-methoxy-2-phenylsulfanylethyl)pyridin-2-one
CID 134278032
[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl] acetate
CID 14714940
1-[ethoxy(trimethylsilyl)methyl]pyridin-2-one
CID 66619672
ethane;4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanamide
CID 153352786

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-pyridinyl)ethyl acetate?
The IUPAC name of 1-(2-oxo-1-pyridinyl)ethyl acetate (CID 174565058) is 1-(2-oxo-1-pyridinyl)ethyl acetate.
What is the SMILES notation for 1-(2-oxo-1-pyridinyl)ethyl acetate?
The canonical SMILES for 1-(2-oxo-1-pyridinyl)ethyl acetate is CC(=O)OC(C)n1ccccc1=O.
What is the InChIKey of 1-(2-oxo-1-pyridinyl)ethyl acetate?
The InChIKey is ANJHXLYULQTYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7(13-8(2)11)10-6-4-3-5-9(10)12/h3-7H,1-2H3.
What are the key properties of 1-(2-oxo-1-pyridinyl)ethyl acetate?
1-(2-oxo-1-pyridinyl)ethyl acetate has a molecular weight of 181.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-pyridinyl)ethyl acetate is sourced from PubChem (CID 174565058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).