[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea

C10H17N3O — CID 5370955

IUPAC[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea
SMILESCC1=C/C(=N/NC(N)=O)CC(C)(C)C1
InChIInChI=1S/C10H17N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h4H,5-6H2,1-3H3,(H3,11,13,14)/b12-8-
InChIKeyPOWGERBYLYXZDD-WQLSENKSSA-N
MW195.27 g/mol
LogP1.78
Rot. Bonds1

About [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea

[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea (PubChem CID 5370955) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea
PubChem CID5370955
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea
SMILESCC1=C/C(=N/NC(N)=O)CC(C)(C)C1
InChIInChI=1S/C10H17N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h4H,5-6H2,1-3H3,(H3,11,13,14)/b12-8-
InChIKeyPOWGERBYLYXZDD-WQLSENKSSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea?
The IUPAC name of [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea (CID 5370955) is [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea.
What is the SMILES notation for [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea?
The canonical SMILES for [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea is CC1=C/C(=N/NC(N)=O)CC(C)(C)C1.
What is the InChIKey of [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea?
The InChIKey is POWGERBYLYXZDD-WQLSENKSSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h4H,5-6H2,1-3H3,(H3,11,13,14)/b12-8-.
What are the key properties of [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea?
[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea has a molecular weight of 195.27 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]urea is sourced from PubChem (CID 5370955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).