2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide

C11H14N4O2 — CID 67613356

IUPAC2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(C(=O)NN)c1ccccc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-2-7-15(11(17)14-13)9-6-4-3-5-8(9)10(12)16/h2-6H,1,7,13H2,(H2,12,16)(H,14,17)
InChIKeyZAVXLYJVSNOAMM-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.36
Rot. Bonds4

About 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide

2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide (PubChem CID 67613356) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide.

Molecular Properties

Compound Name2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide
PubChem CID67613356
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide
SMILESC=CCN(C(=O)NN)c1ccccc1C(N)=O
InChIInChI=1S/C11H14N4O2/c1-2-7-15(11(17)14-13)9-6-4-3-5-8(9)10(12)16/h2-6H,1,7,13H2,(H2,12,16)(H,14,17)
InChIKeyZAVXLYJVSNOAMM-UHFFFAOYSA-N
XLogP0.36
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide?
The IUPAC name of 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide (CID 67613356) is 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide.
What is the SMILES notation for 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide?
The canonical SMILES for 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide is C=CCN(C(=O)NN)c1ccccc1C(N)=O.
What is the InChIKey of 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide?
The InChIKey is ZAVXLYJVSNOAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-7-15(11(17)14-13)9-6-4-3-5-8(9)10(12)16/h2-6H,1,7,13H2,(H2,12,16)(H,14,17).
What are the key properties of 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide?
2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide has a molecular weight of 234.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydrazinecarbonyl(prop-2-enyl)amino]benzamide is sourced from PubChem (CID 67613356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).