benzamide;ethene

C9H11NO — CID 143479548

IUPACbenzamide;ethene
SMILESC=C.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C2H4/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H2,8,9);1-2H2
InChIKeyJRPVBDKOURHEGK-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.59
Rot. Bonds1

About benzamide;ethene

benzamide;ethene (PubChem CID 143479548) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is benzamide;ethene.

Molecular Properties

Compound Namebenzamide;ethene
PubChem CID143479548
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namebenzamide;ethene
SMILESC=C.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C2H4/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H2,8,9);1-2H2
InChIKeyJRPVBDKOURHEGK-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzamide;hydron
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CID 67738089
CID 67738089
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CID 174591280
benzamide;trifluoroborane
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acetyl chloride;benzamide
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benzamide;pyrazine
CID 67119172
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CID 162214835
sodium;benzamide;benzoic acid;hydride
CID 175327257
benzamide;thiophene
CID 67043300
benzamide;pyridine-4-carboxamide
CID 175267661
benzamide;2,2,2-trichloroacetic acid
CID 70538723

Frequently Asked Questions

What is the IUPAC name of benzamide;ethene?
The IUPAC name of benzamide;ethene (CID 143479548) is benzamide;ethene.
What is the SMILES notation for benzamide;ethene?
The canonical SMILES for benzamide;ethene is C=C.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;ethene?
The InChIKey is JRPVBDKOURHEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H4/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H2,8,9);1-2H2.
What are the key properties of benzamide;ethene?
benzamide;ethene has a molecular weight of 149.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;ethene is sourced from PubChem (CID 143479548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).