2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol

C12H16N2O — CID 116660155

IUPAC2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
SMILESOC(CC1=CCCCC1)c1cnccn1
InChIInChI=1S/C12H16N2O/c15-12(11-9-13-6-7-14-11)8-10-4-2-1-3-5-10/h4,6-7,9,12,15H,1-3,5,8H2
InChIKeyXFMXZSGVOZEWGX-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.40
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol

2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol (PubChem CID 116660155) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
PubChem CID116660155
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
SMILESOC(CC1=CCCCC1)c1cnccn1
InChIInChI=1S/C12H16N2O/c15-12(11-9-13-6-7-14-11)8-10-4-2-1-3-5-10/h4,6-7,9,12,15H,1-3,5,8H2
InChIKeyXFMXZSGVOZEWGX-UHFFFAOYSA-N
XLogP2.40
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
CID 116661377
1-pyrazin-2-yl-2-(3H-pyrrol-5-yl)ethanol
CID 20641667
2-(cyclohexen-1-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 116660154
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148
1-(4-tert-butylphenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660093
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
2-(cyclopenten-1-yl)-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 131001076
3-methoxy-1-pyrazin-2-ylpropan-1-ol
CID 62608017
3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
CID 116661348
(2R)-1,1,1-trichloro-3-(cyclohexen-1-yl)propan-2-ol
CID 13238455

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol (CID 116660155) is 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol is OC(CC1=CCCCC1)c1cnccn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol?
The InChIKey is XFMXZSGVOZEWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-9-13-6-7-14-11)8-10-4-2-1-3-5-10/h4,6-7,9,12,15H,1-3,5,8H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol?
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol has a molecular weight of 204.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol is sourced from PubChem (CID 116660155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).