methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate

C13H14N2O3 — CID 168684351

IUPACmethyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
SMILESC=CC1CC(=O)N(c2ccc(C(=O)OC)nc2)C1
InChIInChI=1S/C13H14N2O3/c1-3-9-6-12(16)15(8-9)10-4-5-11(14-7-10)13(17)18-2/h3-5,7,9H,1,6,8H2,2H3
InChIKeyYVFJXPXNZBFECY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.41
Rot. Bonds3

About methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate

methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate (PubChem CID 168684351) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
PubChem CID168684351
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Namemethyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
SMILESC=CC1CC(=O)N(c2ccc(C(=O)OC)nc2)C1
InChIInChI=1S/C13H14N2O3/c1-3-9-6-12(16)15(8-9)10-4-5-11(14-7-10)13(17)18-2/h3-5,7,9H,1,6,8H2,2H3
InChIKeyYVFJXPXNZBFECY-UHFFFAOYSA-N
XLogP1.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(4-amino-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168699445
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
methyl 3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684387
propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168683979
ethyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684150
4-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 168686329
methyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2,6-difluorobenzoate
CID 168684318
methyl 3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684395
methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
CID 168684357
methyl 1-(6-fluoro-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694749
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate (CID 168684351) is methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate is C=CC1CC(=O)N(c2ccc(C(=O)OC)nc2)C1.
What is the InChIKey of methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
The InChIKey is YVFJXPXNZBFECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-9-6-12(16)15(8-9)10-4-5-11(14-7-10)13(17)18-2/h3-5,7,9H,1,6,8H2,2H3.
What are the key properties of methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate?
methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 168684351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).