[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea

C11H19N3O — CID 5375917

IUPAC[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea
SMILESCC1=C/C(=N/NC(N)=O)C(C(C)C)CC1
InChIInChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h6-7,9H,4-5H2,1-3H3,(H3,12,14,15)/b13-10-
InChIKeyMMHNCDFKONMERY-RAXLEYEMSA-N
MW209.29 g/mol
LogP2.02
Rot. Bonds2

About [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea

[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea (PubChem CID 5375917) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea
PubChem CID5375917
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea
SMILESCC1=C/C(=N/NC(N)=O)C(C(C)C)CC1
InChIInChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h6-7,9H,4-5H2,1-3H3,(H3,12,14,15)/b13-10-
InChIKeyMMHNCDFKONMERY-RAXLEYEMSA-N
XLogP2.02
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.02
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-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea?
The IUPAC name of [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea (CID 5375917) is [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea.
What is the SMILES notation for [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea?
The canonical SMILES for [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea is CC1=C/C(=N/NC(N)=O)C(C(C)C)CC1.
What is the InChIKey of [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea?
The InChIKey is MMHNCDFKONMERY-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h6-7,9H,4-5H2,1-3H3,(H3,12,14,15)/b13-10-.
What are the key properties of [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea?
[(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea has a molecular weight of 209.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]urea is sourced from PubChem (CID 5375917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).