1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol

C12H18N2O — CID 79744425

IUPAC1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1CC=CCC1
InChIInChI=1S/C12H18N2O/c1-14-8-7-13-12(14)9-11(15)10-5-3-2-4-6-10/h2-3,7-8,10-11,15H,4-6,9H2,1H3
InChIKeyZGMKMQGNTMZQFP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.68
Rot. Bonds3

About 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol

1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 79744425) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol
PubChem CID79744425
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1CC=CCC1
InChIInChI=1S/C12H18N2O/c1-14-8-7-13-12(14)9-11(15)10-5-3-2-4-6-10/h2-3,7-8,10-11,15H,4-6,9H2,1H3
InChIKeyZGMKMQGNTMZQFP-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol (CID 79744425) is 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)C1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is ZGMKMQGNTMZQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-7-13-12(14)9-11(15)10-5-3-2-4-6-10/h2-3,7-8,10-11,15H,4-6,9H2,1H3.
What are the key properties of 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol?
1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 79744425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).