propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate

C10H15NO3 — CID 145068809

IUPACpropan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate
SMILESCC(C)OC(=O)CN1C=CCCC1=O
InChIInChI=1S/C10H15NO3/c1-8(2)14-10(13)7-11-6-4-3-5-9(11)12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyFUBWHTUWXBMDIB-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.07
Rot. Bonds3

About propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate

propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate (PubChem CID 145068809) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate
PubChem CID145068809
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namepropan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate
SMILESCC(C)OC(=O)CN1C=CCCC1=O
InChIInChI=1S/C10H15NO3/c1-8(2)14-10(13)7-11-6-4-3-5-9(11)12/h4,6,8H,3,5,7H2,1-2H3
InChIKeyFUBWHTUWXBMDIB-UHFFFAOYSA-N
XLogP1.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-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 propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate (CID 145068809) is propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate is CC(C)OC(=O)CN1C=CCCC1=O.
What is the InChIKey of propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate?
The InChIKey is FUBWHTUWXBMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(2)14-10(13)7-11-6-4-3-5-9(11)12/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate?
propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate has a molecular weight of 197.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2-oxo-3,4-dihydropyridin-1-yl)acetate is sourced from PubChem (CID 145068809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).