1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea

C13H24N2O — CID 21027155

IUPAC1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea
SMILESCC(C)/C=C/CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)7-6-10-14-13(16)15-12-8-4-3-5-9-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H2,14,15,16)/b7-6+
InChIKeyHXROSPBIGCRUSG-VOTSOKGWSA-N
MW224.35 g/mol
LogP2.83
Rot. Bonds4

About 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea

1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea (PubChem CID 21027155) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea
PubChem CID21027155
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea
SMILESCC(C)/C=C/CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)7-6-10-14-13(16)15-12-8-4-3-5-9-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H2,14,15,16)/b7-6+
InChIKeyHXROSPBIGCRUSG-VOTSOKGWSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea (CID 21027155) is 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea is CC(C)/C=C/CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea?
The InChIKey is HXROSPBIGCRUSG-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)7-6-10-14-13(16)15-12-8-4-3-5-9-12/h6-7,11-12H,3-5,8-10H2,1-2H3,(H2,14,15,16)/b7-6+.
What are the key properties of 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea?
1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea has a molecular weight of 224.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-4-methylpent-2-enyl]urea is sourced from PubChem (CID 21027155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).