[(Z)-5-methylhept-6-en-3-ylideneamino]urea

C9H17N3O — CID 6385749

IUPAC[(Z)-5-methylhept-6-en-3-ylideneamino]urea
SMILESC=CC(C)C/C(CC)=N\NC(N)=O
InChIInChI=1S/C9H17N3O/c1-4-7(3)6-8(5-2)11-12-9(10)13/h4,7H,1,5-6H2,2-3H3,(H3,10,12,13)/b11-8-
InChIKeyKFZCMIYZANJEKG-FLIBITNWSA-N
MW183.25 g/mol
LogP1.63
Rot. Bonds5

About [(Z)-5-methylhept-6-en-3-ylideneamino]urea

[(Z)-5-methylhept-6-en-3-ylideneamino]urea (PubChem CID 6385749) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is [(Z)-5-methylhept-6-en-3-ylideneamino]urea.

Molecular Properties

Compound Name[(Z)-5-methylhept-6-en-3-ylideneamino]urea
PubChem CID6385749
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name[(Z)-5-methylhept-6-en-3-ylideneamino]urea
SMILESC=CC(C)C/C(CC)=N\NC(N)=O
InChIInChI=1S/C9H17N3O/c1-4-7(3)6-8(5-2)11-12-9(10)13/h4,7H,1,5-6H2,2-3H3,(H3,10,12,13)/b11-8-
InChIKeyKFZCMIYZANJEKG-FLIBITNWSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-5-methylhept-6-en-3-ylideneamino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-methylhept-6-en-3-ylideneamino]urea?
The IUPAC name of [(Z)-5-methylhept-6-en-3-ylideneamino]urea (CID 6385749) is [(Z)-5-methylhept-6-en-3-ylideneamino]urea.
What is the SMILES notation for [(Z)-5-methylhept-6-en-3-ylideneamino]urea?
The canonical SMILES for [(Z)-5-methylhept-6-en-3-ylideneamino]urea is C=CC(C)C/C(CC)=N\NC(N)=O.
What is the InChIKey of [(Z)-5-methylhept-6-en-3-ylideneamino]urea?
The InChIKey is KFZCMIYZANJEKG-FLIBITNWSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-7(3)6-8(5-2)11-12-9(10)13/h4,7H,1,5-6H2,2-3H3,(H3,10,12,13)/b11-8-.
What are the key properties of [(Z)-5-methylhept-6-en-3-ylideneamino]urea?
[(Z)-5-methylhept-6-en-3-ylideneamino]urea has a molecular weight of 183.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-methylhept-6-en-3-ylideneamino]urea is sourced from PubChem (CID 6385749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).