ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate

C14H16N2O3 — CID 168684151

IUPACethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
SMILESC=CC1CC(=O)N(c2cnccc2C(=O)OCC)C1
InChIInChI=1S/C14H16N2O3/c1-3-10-7-13(17)16(9-10)12-8-15-6-5-11(12)14(18)19-4-2/h3,5-6,8,10H,1,4,7,9H2,2H3
InChIKeyJBIIADUDAFLTEC-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.80
Rot. Bonds4

About ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate

ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate (PubChem CID 168684151) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
PubChem CID168684151
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate
SMILESC=CC1CC(=O)N(c2cnccc2C(=O)OCC)C1
InChIInChI=1S/C14H16N2O3/c1-3-10-7-13(17)16(9-10)12-8-15-6-5-11(12)14(18)19-4-2/h3,5-6,8,10H,1,4,7,9H2,2H3
InChIKeyJBIIADUDAFLTEC-UHFFFAOYSA-N
XLogP1.80
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate (CID 168684151) is ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate is C=CC1CC(=O)N(c2cnccc2C(=O)OCC)C1.
What is the InChIKey of ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
The InChIKey is JBIIADUDAFLTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-7-13(17)16(9-10)12-8-15-6-5-11(12)14(18)19-4-2/h3,5-6,8,10H,1,4,7,9H2,2H3.
What are the key properties of ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate?
ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 168684151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).