3-ethenyl-N-prop-2-enoxybenzamide

C12H13NO2 — CID 58710131

IUPAC3-ethenyl-N-prop-2-enoxybenzamide
SMILESC=CCONC(=O)c1cccc(C=C)c1
InChIInChI=1S/C12H13NO2/c1-3-8-15-13-12(14)11-7-5-6-10(4-2)9-11/h3-7,9H,1-2,8H2,(H,13,14)
InChIKeyBBSHSVIORPLSSS-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.18
Rot. Bonds5

About 3-ethenyl-N-prop-2-enoxybenzamide

3-ethenyl-N-prop-2-enoxybenzamide (PubChem CID 58710131) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-ethenyl-N-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-ethenyl-N-prop-2-enoxybenzamide
PubChem CID58710131
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-ethenyl-N-prop-2-enoxybenzamide
SMILESC=CCONC(=O)c1cccc(C=C)c1
InChIInChI=1S/C12H13NO2/c1-3-8-15-13-12(14)11-7-5-6-10(4-2)9-11/h3-7,9H,1-2,8H2,(H,13,14)
InChIKeyBBSHSVIORPLSSS-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethenyl-N-prop-2-enoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-N-prop-2-enoxybenzamide?
The IUPAC name of 3-ethenyl-N-prop-2-enoxybenzamide (CID 58710131) is 3-ethenyl-N-prop-2-enoxybenzamide.
What is the SMILES notation for 3-ethenyl-N-prop-2-enoxybenzamide?
The canonical SMILES for 3-ethenyl-N-prop-2-enoxybenzamide is C=CCONC(=O)c1cccc(C=C)c1.
What is the InChIKey of 3-ethenyl-N-prop-2-enoxybenzamide?
The InChIKey is BBSHSVIORPLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-15-13-12(14)11-7-5-6-10(4-2)9-11/h3-7,9H,1-2,8H2,(H,13,14).
What are the key properties of 3-ethenyl-N-prop-2-enoxybenzamide?
3-ethenyl-N-prop-2-enoxybenzamide has a molecular weight of 203.24 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-N-prop-2-enoxybenzamide is sourced from PubChem (CID 58710131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).