methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate

C10H11NO3 — CID 176972343

IUPACmethyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c(=O)n(C)c1
InChIInChI=1S/C10H11NO3/c1-4-7-5-8(10(13)14-3)9(12)11(2)6-7/h4-6H,1H2,2-3H3
InChIKeyPXYQGZQKMJVPKZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.81
Rot. Bonds2

About methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate

methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate (PubChem CID 176972343) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate
PubChem CID176972343
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate
SMILESC=Cc1cc(C(=O)OC)c(=O)n(C)c1
InChIInChI=1S/C10H11NO3/c1-4-7-5-8(10(13)14-3)9(12)11(2)6-7/h4-6H,1H2,2-3H3
InChIKeyPXYQGZQKMJVPKZ-UHFFFAOYSA-N
XLogP0.81
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-ethenyl-1-methyl-2-oxopyridine-3-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

methyl 5-ethenyl-2-methylbenzoate
CID 10702422
methyl 1-methyl-2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxylate
CID 59353345
methyl 5-bromo-1-methyl-2-oxopyridine-3-carboxylate;methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
CID 159612012
1-O-tert-butyl 2-O-methyl 4-ethenylpyrrole-1,2-dicarboxylate
CID 139497848
ethyl 2-(4-ethenyl-1-methylpyrrol-2-yl)-2-oxoacetate
CID 101447733
trimethyl pyrrole-1,3,4-tricarboxylate
CID 91734196
methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
CID 141024991
methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate
CID 166386868
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
methyl 5-bromo-1-butyl-2-oxopyridine-3-carboxylate
CID 165416851
(E)-3-(5-methoxycarbonyl-1-methylpyrrol-3-yl)-2-methylprop-2-enoic acid
CID 170873385
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate (CID 176972343) is methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate is C=Cc1cc(C(=O)OC)c(=O)n(C)c1.
What is the InChIKey of methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is PXYQGZQKMJVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-4-7-5-8(10(13)14-3)9(12)11(2)6-7/h4-6H,1H2,2-3H3.
What are the key properties of methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate?
methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 176972343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).