2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide

C12H11N3O2 — CID 582984

IUPAC2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
SMILESN#CCC(=O)NNC(=O)C=Cc1ccccc1
InChIInChI=1S/C12H11N3O2/c13-9-8-12(17)15-14-11(16)7-6-10-4-2-1-3-5-10/h1-7H,8H2,(H,14,16)(H,15,17)
InChIKeyXKFOTKKAHPZVOO-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.76
Rot. Bonds3

About 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide

2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide (PubChem CID 582984) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide.

Molecular Properties

Compound Name2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
PubChem CID582984
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
SMILESN#CCC(=O)NNC(=O)C=Cc1ccccc1
InChIInChI=1S/C12H11N3O2/c13-9-8-12(17)15-14-11(16)7-6-10-4-2-1-3-5-10/h1-7H,8H2,(H,14,16)(H,15,17)
InChIKeyXKFOTKKAHPZVOO-UHFFFAOYSA-N
XLogP0.76
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924167
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
2-cyano-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108923021
3-ethoxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 17357847
(E)-3-(4-fluorophenyl)-N'-(2-phenylacetyl)prop-2-enehydrazide
CID 923626
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
3-phenyl-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 5088874
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
1-ethyl-3-[[(E)-3-phenylprop-2-enoyl]amino]thiourea
CID 6247630
4-tert-butyl-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 923514
2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide
CID 168522760

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide?
The IUPAC name of 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide (CID 582984) is 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide.
What is the SMILES notation for 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide?
The canonical SMILES for 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide is N#CCC(=O)NNC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide?
The InChIKey is XKFOTKKAHPZVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-9-8-12(17)15-14-11(16)7-6-10-4-2-1-3-5-10/h1-7H,8H2,(H,14,16)(H,15,17).
What are the key properties of 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide?
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide has a molecular weight of 229.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide is sourced from PubChem (CID 582984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).