2-ethenyl-5-oxopyrrolidine-1-carboxamide

C7H10N2O2 — CID 168866271

IUPAC2-ethenyl-5-oxopyrrolidine-1-carboxamide
SMILESC=CC1CCC(=O)N1C(N)=O
InChIInChI=1S/C7H10N2O2/c1-2-5-3-4-6(10)9(5)7(8)11/h2,5H,1,3-4H2,(H2,8,11)
InChIKeyGKXKXSGUEBPYCB-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.24
Rot. Bonds1

About 2-ethenyl-5-oxopyrrolidine-1-carboxamide

2-ethenyl-5-oxopyrrolidine-1-carboxamide (PubChem CID 168866271) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-ethenyl-5-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-ethenyl-5-oxopyrrolidine-1-carboxamide
PubChem CID168866271
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-ethenyl-5-oxopyrrolidine-1-carboxamide
SMILESC=CC1CCC(=O)N1C(N)=O
InChIInChI=1S/C7H10N2O2/c1-2-5-3-4-6(10)9(5)7(8)11/h2,5H,1,3-4H2,(H2,8,11)
InChIKeyGKXKXSGUEBPYCB-UHFFFAOYSA-N
XLogP0.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethenyl-5-oxopyrrolidine-1-carboxamide?
The IUPAC name of 2-ethenyl-5-oxopyrrolidine-1-carboxamide (CID 168866271) is 2-ethenyl-5-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 2-ethenyl-5-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 2-ethenyl-5-oxopyrrolidine-1-carboxamide is C=CC1CCC(=O)N1C(N)=O.
What is the InChIKey of 2-ethenyl-5-oxopyrrolidine-1-carboxamide?
The InChIKey is GKXKXSGUEBPYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-5-3-4-6(10)9(5)7(8)11/h2,5H,1,3-4H2,(H2,8,11).
What are the key properties of 2-ethenyl-5-oxopyrrolidine-1-carboxamide?
2-ethenyl-5-oxopyrrolidine-1-carboxamide has a molecular weight of 154.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 168866271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).