[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea

C10H11N3O — CID 92529945

IUPAC[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
SMILESNC(=O)N/N=C/C=C\c1ccccc1
InChIInChI=1S/C10H11N3O/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4-,12-8+
InChIKeyPZZOBYAGIHBRPI-OTIJGBKASA-N
MW189.22 g/mol
LogP1.35
Rot. Bonds3

About [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea

[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea (PubChem CID 92529945) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
PubChem CID92529945
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
SMILESNC(=O)N/N=C/C=C\c1ccccc1
InChIInChI=1S/C10H11N3O/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4-,12-8+
InChIKeyPZZOBYAGIHBRPI-OTIJGBKASA-N
XLogP1.35
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(cinnamylideneamino)urea
CID 2823909
1-[(E)-cinnamylideneamino]-3-methylurea
CID 167350066
1,2-bis[(E)-[(E)-3-phenylprop-2-enylidene]amino]guanidine
CID 86279058
N-(cinnamylideneamino)-2-phenylacetamide
CID 562559
[(E)-benzylideneamino]urea
CID 6861419
1-amino-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
CID 14690561
N-(cinnamylideneamino)-2-iodobenzamide
CID 4982683
trimethyl-[2-oxo-2-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium
CID 173017533
3-[3-oxo-3-[(2E)-2-[(Z)-3-phenylprop-2-enylidene]hydrazinyl]propyl]sulfanyl-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]propanamide
CID 92529742
trimethyl-[2-oxo-2-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]ethyl]azanium chloride
CID 87145992
4-benzamido-N-(cinnamylideneamino)benzamide
CID 5097860
N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]furan-2-carboxamide
CID 92534270

Frequently Asked Questions

What is the IUPAC name of [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea?
The IUPAC name of [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea (CID 92529945) is [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea.
What is the SMILES notation for [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea?
The canonical SMILES for [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea is NC(=O)N/N=C/C=C\c1ccccc1.
What is the InChIKey of [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea?
The InChIKey is PZZOBYAGIHBRPI-OTIJGBKASA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(14)13-12-8-4-7-9-5-2-1-3-6-9/h1-8H,(H3,11,13,14)/b7-4-,12-8+.
What are the key properties of [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea?
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea has a molecular weight of 189.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea is sourced from PubChem (CID 92529945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).