5-ethenyl-2-oxopyrrolidine-3-carboxamide

C7H10N2O2 — CID 3018074

IUPAC5-ethenyl-2-oxopyrrolidine-3-carboxamide
SMILESC=CC1CC(C(N)=O)C(=O)N1
InChIInChI=1S/C7H10N2O2/c1-2-4-3-5(6(8)10)7(11)9-4/h2,4-5H,1,3H2,(H2,8,10)(H,9,11)
InChIKeyXHRGUQBJMOCCMF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.84
Rot. Bonds2

About 5-ethenyl-2-oxopyrrolidine-3-carboxamide

5-ethenyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 3018074) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-ethenyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-ethenyl-2-oxopyrrolidine-3-carboxamide
PubChem CID3018074
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-ethenyl-2-oxopyrrolidine-3-carboxamide
SMILESC=CC1CC(C(N)=O)C(=O)N1
InChIInChI=1S/C7H10N2O2/c1-2-4-3-5(6(8)10)7(11)9-4/h2,4-5H,1,3H2,(H2,8,10)(H,9,11)
InChIKeyXHRGUQBJMOCCMF-UHFFFAOYSA-N
XLogP-0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 5-ethenyl-2-oxopyrrolidine-3-carboxamide (CID 3018074) is 5-ethenyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 5-ethenyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 5-ethenyl-2-oxopyrrolidine-3-carboxamide is C=CC1CC(C(N)=O)C(=O)N1.
What is the InChIKey of 5-ethenyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is XHRGUQBJMOCCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-4-3-5(6(8)10)7(11)9-4/h2,4-5H,1,3H2,(H2,8,10)(H,9,11).
What are the key properties of 5-ethenyl-2-oxopyrrolidine-3-carboxamide?
5-ethenyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3018074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).