2-(3-oxoprop-2-enylamino)benzamide

C10H10N2O2 — CID 87855981

IUPAC2-(3-oxoprop-2-enylamino)benzamide
SMILESNC(=O)c1ccccc1NCC=C=O
InChIInChI=1S/C10H10N2O2/c11-10(14)8-4-1-2-5-9(8)12-6-3-7-13/h1-5,12H,6H2,(H2,11,14)
InChIKeyORYNKJIFPVASHF-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.59
Rot. Bonds4

About 2-(3-oxoprop-2-enylamino)benzamide

2-(3-oxoprop-2-enylamino)benzamide (PubChem CID 87855981) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(3-oxoprop-2-enylamino)benzamide.

Molecular Properties

Compound Name2-(3-oxoprop-2-enylamino)benzamide
PubChem CID87855981
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(3-oxoprop-2-enylamino)benzamide
SMILESNC(=O)c1ccccc1NCC=C=O
InChIInChI=1S/C10H10N2O2/c11-10(14)8-4-1-2-5-9(8)12-6-3-7-13/h1-5,12H,6H2,(H2,11,14)
InChIKeyORYNKJIFPVASHF-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-chloroprop-2-enyl]amino]benzamide
CID 122358735
2-(cyanomethylamino)benzamide
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2-(chloroamino)benzamide
CID 54562633
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2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
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2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-[3-(ethylamino)propylamino]benzamide
CID 61020118

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxoprop-2-enylamino)benzamide?
The IUPAC name of 2-(3-oxoprop-2-enylamino)benzamide (CID 87855981) is 2-(3-oxoprop-2-enylamino)benzamide.
What is the SMILES notation for 2-(3-oxoprop-2-enylamino)benzamide?
The canonical SMILES for 2-(3-oxoprop-2-enylamino)benzamide is NC(=O)c1ccccc1NCC=C=O.
What is the InChIKey of 2-(3-oxoprop-2-enylamino)benzamide?
The InChIKey is ORYNKJIFPVASHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(14)8-4-1-2-5-9(8)12-6-3-7-13/h1-5,12H,6H2,(H2,11,14).
What are the key properties of 2-(3-oxoprop-2-enylamino)benzamide?
2-(3-oxoprop-2-enylamino)benzamide has a molecular weight of 190.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxoprop-2-enylamino)benzamide is sourced from PubChem (CID 87855981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).