3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea

C12H18N4O — CID 143866928

IUPAC3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N/C=C(/Cc1ccccc1)NN
InChIInChI=1S/C12H18N4O/c1-16(2)12(17)14-9-11(15-13)8-10-6-4-3-5-7-10/h3-7,9,15H,8,13H2,1-2H3,(H,14,17)/b11-9-
InChIKeyVHTIOQJQBVZRKL-LUAWRHEFSA-N
MW234.30 g/mol
LogP0.81
Rot. Bonds4

About 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea

3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea (PubChem CID 143866928) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea
PubChem CID143866928
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea
SMILESCN(C)C(=O)N/C=C(/Cc1ccccc1)NN
InChIInChI=1S/C12H18N4O/c1-16(2)12(17)14-9-11(15-13)8-10-6-4-3-5-7-10/h3-7,9,15H,8,13H2,1-2H3,(H,14,17)/b11-9-
InChIKeyVHTIOQJQBVZRKL-LUAWRHEFSA-N
XLogP0.81
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-benzyl-1-methylurea
CID 43163959
2-phenyl-N-[(Z)-prop-1-enyl]acetamide
CID 124527116
N-[(E)-1-phenylbut-2-en-2-yl]acetamide
CID 174681056
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
N'-methyl-N'-(4-methylphenyl)-2-phenylacetohydrazide
CID 13486901
2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
CID 139716898
(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
CID 177397083
1-amino-1-[(Z)-1-amino-3-phenylprop-1-en-2-yl]-3,3-dimethylurea
CID 143866933
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
2-benzyl-N,N-dimethylprop-2-enamide
CID 67100318
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea?
The IUPAC name of 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea (CID 143866928) is 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea is CN(C)C(=O)N/C=C(/Cc1ccccc1)NN.
What is the InChIKey of 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea?
The InChIKey is VHTIOQJQBVZRKL-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(2)12(17)14-9-11(15-13)8-10-6-4-3-5-7-10/h3-7,9,15H,8,13H2,1-2H3,(H,14,17)/b11-9-.
What are the key properties of 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea?
3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea has a molecular weight of 234.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea is sourced from PubChem (CID 143866928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).