[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea

C12H15N3O — CID 6288454

IUPAC[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
SMILESCCC(/C=N\NC(N)=O)=C\c1ccccc1
InChIInChI=1S/C12H15N3O/c1-2-10(9-14-15-12(13)16)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H3,13,15,16)/b10-8+,14-9-
InChIKeyMHQNWKCSSPCNQT-VMXBWBJUSA-N
MW217.27 g/mol
LogP2.13
Rot. Bonds4

About [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea

[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea (PubChem CID 6288454) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
PubChem CID6288454
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea
SMILESCCC(/C=N\NC(N)=O)=C\c1ccccc1
InChIInChI=1S/C12H15N3O/c1-2-10(9-14-15-12(13)16)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H3,13,15,16)/b10-8+,14-9-
InChIKeyMHQNWKCSSPCNQT-VMXBWBJUSA-N
XLogP2.13
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.13
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)-benzylideneamino]urea
CID 6861419
[(E)-2-oxobutylideneamino]urea
CID 55288593
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
4-amino-N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]benzamide
CID 7955494
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4-benzylidene-2-methylhex-2-enoic acid
CID 126650442
[(E)-[(Z)-3-phenylprop-2-enylidene]amino]urea
CID 92529945
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
5-methyl-6-phenylhex-5-en-3-one
CID 71411119
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
CID 6803115

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea?
The IUPAC name of [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea (CID 6288454) is [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea.
What is the SMILES notation for [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea?
The canonical SMILES for [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea is CCC(/C=N\NC(N)=O)=C\c1ccccc1.
What is the InChIKey of [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea?
The InChIKey is MHQNWKCSSPCNQT-VMXBWBJUSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-10(9-14-15-12(13)16)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3,(H3,13,15,16)/b10-8+,14-9-.
What are the key properties of [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea?
[(Z)-[(2E)-2-benzylidenebutylidene]amino]urea has a molecular weight of 217.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-benzylidenebutylidene]amino]urea is sourced from PubChem (CID 6288454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).