1-(2-oxo-1-pyridinyl)pentan-3-yl acetate

C12H17NO3 — CID 20632107

IUPAC1-(2-oxo-1-pyridinyl)pentan-3-yl acetate
SMILESCCC(CCn1ccccc1=O)OC(C)=O
InChIInChI=1S/C12H17NO3/c1-3-11(16-10(2)14)7-9-13-8-5-4-6-12(13)15/h4-6,8,11H,3,7,9H2,1-2H3
InChIKeyLQLPEEJYVWYVFC-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.58
Rot. Bonds5

About 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate

1-(2-oxo-1-pyridinyl)pentan-3-yl acetate (PubChem CID 20632107) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate.

Molecular Properties

Compound Name1-(2-oxo-1-pyridinyl)pentan-3-yl acetate
PubChem CID20632107
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(2-oxo-1-pyridinyl)pentan-3-yl acetate
SMILESCCC(CCn1ccccc1=O)OC(C)=O
InChIInChI=1S/C12H17NO3/c1-3-11(16-10(2)14)7-9-13-8-5-4-6-12(13)15/h4-6,8,11H,3,7,9H2,1-2H3
InChIKeyLQLPEEJYVWYVFC-UHFFFAOYSA-N
XLogP1.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate?
The IUPAC name of 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate (CID 20632107) is 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate.
What is the SMILES notation for 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate?
The canonical SMILES for 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate is CCC(CCn1ccccc1=O)OC(C)=O.
What is the InChIKey of 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate?
The InChIKey is LQLPEEJYVWYVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-11(16-10(2)14)7-9-13-8-5-4-6-12(13)15/h4-6,8,11H,3,7,9H2,1-2H3.
What are the key properties of 1-(2-oxo-1-pyridinyl)pentan-3-yl acetate?
1-(2-oxo-1-pyridinyl)pentan-3-yl acetate has a molecular weight of 223.27 g/mol, XLogP of 1.58, 5 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)pentan-3-yl acetate is sourced from PubChem (CID 20632107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).