1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole

C15H22N2O — CID 56742715

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole
SMILESC1=C(CCn2ccnc2C2CCOC2)CCCC1
InChIInChI=1S/C15H22N2O/c1-2-4-13(5-3-1)6-9-17-10-8-16-15(17)14-7-11-18-12-14/h4,8,10,14H,1-3,5-7,9,11-12H2
InChIKeyREEOTGUEHPVTPF-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.28
Rot. Bonds4

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

1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole (PubChem CID 56742715) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole
PubChem CID56742715
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole
SMILESC1=C(CCn2ccnc2C2CCOC2)CCCC1
InChIInChI=1S/C15H22N2O/c1-2-4-13(5-3-1)6-9-17-10-8-16-15(17)14-7-11-18-12-14/h4,8,10,14H,1-3,5-7,9,11-12H2
InChIKeyREEOTGUEHPVTPF-UHFFFAOYSA-N
XLogP3.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-2-(oxolan-3-yl)imidazole?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole (CID 56742715) is 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole is C1=C(CCn2ccnc2C2CCOC2)CCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole?
The InChIKey is REEOTGUEHPVTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-4-13(5-3-1)6-9-17-10-8-16-15(17)14-7-11-18-12-14/h4,8,10,14H,1-3,5-7,9,11-12H2.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole?
1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole has a molecular weight of 246.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-3-yl)imidazole is sourced from PubChem (CID 56742715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).