[(E)-benzylideneamino]urea

C8H9N3O — CID 6861419

IUPAC[(E)-benzylideneamino]urea
SMILESNC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+
InChIKeyAKGUXECGGCUDCV-UXBLZVDNSA-N
MW163.18 g/mol
LogP0.69
Rot. Bonds2

About [(E)-benzylideneamino]urea

[(E)-benzylideneamino]urea (PubChem CID 6861419) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is [(E)-benzylideneamino]urea.

Molecular Properties

Compound Name[(E)-benzylideneamino]urea
PubChem CID6861419
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name[(E)-benzylideneamino]urea
SMILESNC(=O)N/N=C/c1ccccc1
InChIInChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+
InChIKeyAKGUXECGGCUDCV-UXBLZVDNSA-N
XLogP0.69
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.69
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

[(E)-[4-(4-phenoxyphenoxy)phenyl]methylideneamino]urea
CID 10593753
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468

Frequently Asked Questions

What is the IUPAC name of [(E)-benzylideneamino]urea?
The IUPAC name of [(E)-benzylideneamino]urea (CID 6861419) is [(E)-benzylideneamino]urea.
What is the SMILES notation for [(E)-benzylideneamino]urea?
The canonical SMILES for [(E)-benzylideneamino]urea is NC(=O)N/N=C/c1ccccc1.
What is the InChIKey of [(E)-benzylideneamino]urea?
The InChIKey is AKGUXECGGCUDCV-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H9N3O/c9-8(12)11-10-6-7-4-2-1-3-5-7/h1-6H,(H3,9,11,12)/b10-6+.
What are the key properties of [(E)-benzylideneamino]urea?
[(E)-benzylideneamino]urea has a molecular weight of 163.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-benzylideneamino]urea is sourced from PubChem (CID 6861419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).