5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide

C8H10N2O2 — CID 134815541

IUPAC5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide
SMILESC=CCNC(=O)N1CC=CC1=O
InChIInChI=1S/C8H10N2O2/c1-2-5-9-8(12)10-6-3-4-7(10)11/h2-4H,1,5-6H2,(H,9,12)
InChIKeyAOQABARIHXJMEX-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.28
Rot. Bonds2

About 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide

5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide (PubChem CID 134815541) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide
PubChem CID134815541
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide
SMILESC=CCNC(=O)N1CC=CC1=O
InChIInChI=1S/C8H10N2O2/c1-2-5-9-8(12)10-6-3-4-7(10)11/h2-4H,1,5-6H2,(H,9,12)
InChIKeyAOQABARIHXJMEX-UHFFFAOYSA-N
XLogP0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide?
The IUPAC name of 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide (CID 134815541) is 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide?
The canonical SMILES for 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide is C=CCNC(=O)N1CC=CC1=O.
What is the InChIKey of 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide?
The InChIKey is AOQABARIHXJMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-5-9-8(12)10-6-3-4-7(10)11/h2-4H,1,5-6H2,(H,9,12).
What are the key properties of 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide?
5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-prop-2-enyl-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 134815541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).