[(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea

C12H19N3O — CID 5387503

IUPAC[(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
SMILESCC12CC/C(=N\NC(N)=O)C3C1CCCC32
InChIInChI=1S/C12H19N3O/c1-12-6-5-9(14-15-11(13)16)10-7(12)3-2-4-8(10)12/h7-8,10H,2-6H2,1H3,(H3,13,15,16)/b14-9+
InChIKeyWMRCJJSQPCMZJI-NTEUORMPSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds1

About [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea

[(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea (PubChem CID 5387503) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
PubChem CID5387503
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
SMILESCC12CC/C(=N\NC(N)=O)C3C1CCCC32
InChIInChI=1S/C12H19N3O/c1-12-6-5-9(14-15-11(13)16)10-7(12)3-2-4-8(10)12/h7-8,10H,2-6H2,1H3,(H3,13,15,16)/b14-9+
InChIKeyWMRCJJSQPCMZJI-NTEUORMPSA-N
XLogP1.86
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
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'}

Analyze [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]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 [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
The IUPAC name of [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea (CID 5387503) is [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea.
What is the SMILES notation for [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
The canonical SMILES for [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea is CC12CC/C(=N\NC(N)=O)C3C1CCCC32.
What is the InChIKey of [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
The InChIKey is WMRCJJSQPCMZJI-NTEUORMPSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12-6-5-9(14-15-11(13)16)10-7(12)3-2-4-8(10)12/h7-8,10H,2-6H2,1H3,(H3,13,15,16)/b14-9+.
What are the key properties of [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
[(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea has a molecular weight of 221.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea is sourced from PubChem (CID 5387503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).