N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide

C15H14N4O3 — CID 22112962

IUPACN'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide
SMILESO=CCN(NC(=O)c1ncc[nH]1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H14N4O3/c20-11-10-19(18-15(22)14-16-8-9-17-14)13(21)7-6-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,16,17)(H,18,22)/b7-6+
InChIKeySTARWXQYXNRJNM-VOTSOKGWSA-N
MW298.30 g/mol
LogP0.80
Rot. Bonds5

About N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide

N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide (PubChem CID 22112962) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide
PubChem CID22112962
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide
SMILESO=CCN(NC(=O)c1ncc[nH]1)C(=O)/C=C/c1ccccc1
InChIInChI=1S/C15H14N4O3/c20-11-10-19(18-15(22)14-16-8-9-17-14)13(21)7-6-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,16,17)(H,18,22)/b7-6+
InChIKeySTARWXQYXNRJNM-VOTSOKGWSA-N
XLogP0.80
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1H-imidazol-2-yl)-3-phenylprop-2-en-1-one
CID 18549682
(E)-N'-(2-cyclopentylacetyl)-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
CID 173273647
(E)-N'-methylsulfonyl-N-(2-oxoethyl)-3-phenylprop-2-enehydrazide
CID 173273801
N-[3-oxo-3-[2-(2-oxoethyl)-2-(3-phenylprop-2-enoyl)hydrazinyl]propyl]acetamide
CID 54552603
N-nitro-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54396377
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
(E)-N-(2-oxoethyl)-3-phenyl-N-(pyridin-2-ylmethoxy)prop-2-enamide
CID 173273768
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-cyano-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273963
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877

Frequently Asked Questions

What is the IUPAC name of N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide?
The IUPAC name of N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide (CID 22112962) is N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide.
What is the SMILES notation for N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide?
The canonical SMILES for N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide is O=CCN(NC(=O)c1ncc[nH]1)C(=O)/C=C/c1ccccc1.
What is the InChIKey of N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide?
The InChIKey is STARWXQYXNRJNM-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-11-10-19(18-15(22)14-16-8-9-17-14)13(21)7-6-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,16,17)(H,18,22)/b7-6+.
What are the key properties of N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide?
N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide has a molecular weight of 298.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxoethyl)-N'-[(E)-3-phenylprop-2-enoyl]-1H-imidazole-2-carbohydrazide is sourced from PubChem (CID 22112962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).