1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea

C15H26N2O — CID 840682

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCC1=CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H2,16,17,18)
InChIKeyFSMMDHVMVLEPLM-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea

1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea (PubChem CID 840682) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea
PubChem CID840682
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea
SMILESO=C(NCCC1=CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H26N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H2,16,17,18)
InChIKeyFSMMDHVMVLEPLM-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.51
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-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea (CID 840682) is 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea is O=C(NCCC1=CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea?
The InChIKey is FSMMDHVMVLEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c18-15(17-14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H2,16,17,18).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea?
1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea has a molecular weight of 250.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexylurea is sourced from PubChem (CID 840682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).