[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea

C11H17N3O — CID 5338544

IUPAC[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea
SMILESC=C(C)C1CC=C(C)/C(=N/NC(N)=O)C1
InChIInChI=1S/C11H17N3O/c1-7(2)9-5-4-8(3)10(6-9)13-14-11(12)15/h4,9H,1,5-6H2,2-3H3,(H3,12,14,15)/b13-10+
InChIKeyROYUYJQRQPJMFE-JLHYYAGUSA-N
MW207.28 g/mol
LogP1.94
Rot. Bonds2

About [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea

[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea (PubChem CID 5338544) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea
PubChem CID5338544
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea
SMILESC=C(C)C1CC=C(C)/C(=N/NC(N)=O)C1
InChIInChI=1S/C11H17N3O/c1-7(2)9-5-4-8(3)10(6-9)13-14-11(12)15/h4,9H,1,5-6H2,2-3H3,(H3,12,14,15)/b13-10+
InChIKeyROYUYJQRQPJMFE-JLHYYAGUSA-N
XLogP1.94
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.94
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea?
The IUPAC name of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea (CID 5338544) is [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea.
What is the SMILES notation for [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea?
The canonical SMILES for [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea is C=C(C)C1CC=C(C)/C(=N/NC(N)=O)C1.
What is the InChIKey of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea?
The InChIKey is ROYUYJQRQPJMFE-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)9-5-4-8(3)10(6-9)13-14-11(12)15/h4,9H,1,5-6H2,2-3H3,(H3,12,14,15)/b13-10+.
What are the key properties of [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea?
[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea has a molecular weight of 207.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]urea is sourced from PubChem (CID 5338544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).