2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide

C8H10N2O2 — CID 176532080

IUPAC2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide
SMILESC=CC1CCC(=C=O)N1C(N)=O
InChIInChI=1S/C8H10N2O2/c1-2-6-3-4-7(5-11)10(6)8(9)12/h2,6H,1,3-4H2,(H2,9,12)
InChIKeySFXPOCXGXMOWLQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.43
Rot. Bonds1

About 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide

2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide (PubChem CID 176532080) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide
PubChem CID176532080
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide
SMILESC=CC1CCC(=C=O)N1C(N)=O
InChIInChI=1S/C8H10N2O2/c1-2-6-3-4-7(5-11)10(6)8(9)12/h2,6H,1,3-4H2,(H2,9,12)
InChIKeySFXPOCXGXMOWLQ-UHFFFAOYSA-N
XLogP0.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide?
The IUPAC name of 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide (CID 176532080) is 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide is C=CC1CCC(=C=O)N1C(N)=O.
What is the InChIKey of 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide?
The InChIKey is SFXPOCXGXMOWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-6-3-4-7(5-11)10(6)8(9)12/h2,6H,1,3-4H2,(H2,9,12).
What are the key properties of 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide?
2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(oxomethylidene)pyrrolidine-1-carboxamide is sourced from PubChem (CID 176532080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).