propan-2-yl 4-oxo-1H-pyridine-2-carboxylate

C9H11NO3 — CID 172999813

IUPACpropan-2-yl 4-oxo-1H-pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C9H11NO3/c1-6(2)13-9(12)8-5-7(11)3-4-10-8/h3-6H,1-2H3,(H,10,11)
InChIKeyCVGCRNLXGGEKQC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.94
Rot. Bonds2

About propan-2-yl 4-oxo-1H-pyridine-2-carboxylate

propan-2-yl 4-oxo-1H-pyridine-2-carboxylate (PubChem CID 172999813) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is propan-2-yl 4-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-oxo-1H-pyridine-2-carboxylate
PubChem CID172999813
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namepropan-2-yl 4-oxo-1H-pyridine-2-carboxylate
SMILESCC(C)OC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C9H11NO3/c1-6(2)13-9(12)8-5-7(11)3-4-10-8/h3-6H,1-2H3,(H,10,11)
InChIKeyCVGCRNLXGGEKQC-UHFFFAOYSA-N
XLogP0.94
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 4-oxo-1H-pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-oxo-1H-pyridine-4-carboxylate
CID 71757680
propan-2-yl 4-chloro-1H-pyrrole-2-carboxylate
CID 112723005
ethoxycarbonyl 4-oxo-1H-pyridine-2-carboxylate
CID 174252831
N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
methyl 3-oxo-3-(4-oxo-1H-pyridin-2-yl)propanoate
CID 82657167
CID 50923065
CID 50923065
propan-2-yl 4,5-dichloro-1H-pyrrole-2-carboxylate
CID 112725038
CID 171092005
CID 171092005
propan-2-yl 6-sulfanylidene-1H-pyridine-3-carboxylate
CID 10531329
4-oxo-1H-pyridine-2-carbothioamide
CID 62926463
propan-2-yl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
CID 133061513
propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of propan-2-yl 4-oxo-1H-pyridine-2-carboxylate (CID 172999813) is propan-2-yl 4-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 4-oxo-1H-pyridine-2-carboxylate is CC(C)OC(=O)c1cc(=O)cc[nH]1.
What is the InChIKey of propan-2-yl 4-oxo-1H-pyridine-2-carboxylate?
The InChIKey is CVGCRNLXGGEKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6(2)13-9(12)8-5-7(11)3-4-10-8/h3-6H,1-2H3,(H,10,11).
What are the key properties of propan-2-yl 4-oxo-1H-pyridine-2-carboxylate?
propan-2-yl 4-oxo-1H-pyridine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 172999813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).