1-ethenyl-2-oxopyrrolidine-3-carboxamide

C7H10N2O2 — CID 134257442

IUPAC1-ethenyl-2-oxopyrrolidine-3-carboxamide
SMILESC=CN1CCC(C(N)=O)C1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-4-3-5(6(8)10)7(9)11/h2,5H,1,3-4H2,(H2,8,10)
InChIKeyHXTXSQWNRVTRIU-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.54
Rot. Bonds2

About 1-ethenyl-2-oxopyrrolidine-3-carboxamide

1-ethenyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 134257442) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-ethenyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethenyl-2-oxopyrrolidine-3-carboxamide
PubChem CID134257442
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-ethenyl-2-oxopyrrolidine-3-carboxamide
SMILESC=CN1CCC(C(N)=O)C1=O
InChIInChI=1S/C7H10N2O2/c1-2-9-4-3-5(6(8)10)7(9)11/h2,5H,1,3-4H2,(H2,8,10)
InChIKeyHXTXSQWNRVTRIU-UHFFFAOYSA-N
XLogP-0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethenyl-2-oxopyrrolidine-3-carboxamide (CID 134257442) is 1-ethenyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethenyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethenyl-2-oxopyrrolidine-3-carboxamide is C=CN1CCC(C(N)=O)C1=O.
What is the InChIKey of 1-ethenyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is HXTXSQWNRVTRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-9-4-3-5(6(8)10)7(9)11/h2,5H,1,3-4H2,(H2,8,10).
What are the key properties of 1-ethenyl-2-oxopyrrolidine-3-carboxamide?
1-ethenyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 134257442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).