[(E)-6-methylhept-5-enylideneamino]urea

C9H17N3O — CID 54598905

IUPAC[(E)-6-methylhept-5-enylideneamino]urea
SMILESCC(C)=CCCC/C=N/NC(N)=O
InChIInChI=1S/C9H17N3O/c1-8(2)6-4-3-5-7-11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)/b11-7+
InChIKeyFFPZAYLJSYYXHS-YRNVUSSQSA-N
MW183.25 g/mol
LogP1.78
Rot. Bonds5

About [(E)-6-methylhept-5-enylideneamino]urea

[(E)-6-methylhept-5-enylideneamino]urea (PubChem CID 54598905) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [(E)-6-methylhept-5-enylideneamino]urea.

Molecular Properties

Compound Name[(E)-6-methylhept-5-enylideneamino]urea
PubChem CID54598905
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[(E)-6-methylhept-5-enylideneamino]urea
SMILESCC(C)=CCCC/C=N/NC(N)=O
InChIInChI=1S/C9H17N3O/c1-8(2)6-4-3-5-7-11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)/b11-7+
InChIKeyFFPZAYLJSYYXHS-YRNVUSSQSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-methylhept-5-enylideneamino]urea?
The IUPAC name of [(E)-6-methylhept-5-enylideneamino]urea (CID 54598905) is [(E)-6-methylhept-5-enylideneamino]urea.
What is the SMILES notation for [(E)-6-methylhept-5-enylideneamino]urea?
The canonical SMILES for [(E)-6-methylhept-5-enylideneamino]urea is CC(C)=CCCC/C=N/NC(N)=O.
What is the InChIKey of [(E)-6-methylhept-5-enylideneamino]urea?
The InChIKey is FFPZAYLJSYYXHS-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)6-4-3-5-7-11-12-9(10)13/h6-7H,3-5H2,1-2H3,(H3,10,12,13)/b11-7+.
What are the key properties of [(E)-6-methylhept-5-enylideneamino]urea?
[(E)-6-methylhept-5-enylideneamino]urea has a molecular weight of 183.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-methylhept-5-enylideneamino]urea is sourced from PubChem (CID 54598905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).