[(E)-[cyclobutyl(phenyl)methylidene]amino]urea

C12H15N3O — CID 5381908

IUPAC[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
SMILESNC(=O)N/N=C(/c1ccccc1)C1CCC1
InChIInChI=1S/C12H15N3O/c13-12(16)15-14-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H3,13,15,16)/b14-11-
InChIKeyXSKGLCLDBBJUDK-KAMYIIQDSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds3

About [(E)-[cyclobutyl(phenyl)methylidene]amino]urea

[(E)-[cyclobutyl(phenyl)methylidene]amino]urea (PubChem CID 5381908) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(E)-[cyclobutyl(phenyl)methylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
PubChem CID5381908
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
SMILESNC(=O)N/N=C(/c1ccccc1)C1CCC1
InChIInChI=1S/C12H15N3O/c13-12(16)15-14-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H3,13,15,16)/b14-11-
InChIKeyXSKGLCLDBBJUDK-KAMYIIQDSA-N
XLogP1.86
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
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

N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 3970319
N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-3-hydroxynaphthalene-2-carboxamide
CID 6109947
[(Z)-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]amino]urea
CID 5413777
[cyclopropyl(phenyl)methylidene]hydrazine
CID 85247126
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
CID 6803115
[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
CID 6158288
aniline;cyclobutanecarboxamide
CID 145209318
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
[(E)-(3,3-dichloro-1-phenylprop-2-enylidene)amino]urea
CID 12677235
[(E)-[cyclopropyl-(4-ethylphenyl)methylidene]amino]thiourea
CID 5464742

Frequently Asked Questions

What is the IUPAC name of [(E)-[cyclobutyl(phenyl)methylidene]amino]urea?
The IUPAC name of [(E)-[cyclobutyl(phenyl)methylidene]amino]urea (CID 5381908) is [(E)-[cyclobutyl(phenyl)methylidene]amino]urea.
What is the SMILES notation for [(E)-[cyclobutyl(phenyl)methylidene]amino]urea?
The canonical SMILES for [(E)-[cyclobutyl(phenyl)methylidene]amino]urea is NC(=O)N/N=C(/c1ccccc1)C1CCC1.
What is the InChIKey of [(E)-[cyclobutyl(phenyl)methylidene]amino]urea?
The InChIKey is XSKGLCLDBBJUDK-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H15N3O/c13-12(16)15-14-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H3,13,15,16)/b14-11-.
What are the key properties of [(E)-[cyclobutyl(phenyl)methylidene]amino]urea?
[(E)-[cyclobutyl(phenyl)methylidene]amino]urea has a molecular weight of 217.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[cyclobutyl(phenyl)methylidene]amino]urea is sourced from PubChem (CID 5381908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).