cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol

C12H16N2O2 — CID 104514583

IUPACcyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)C1CC=CCC1
InChIInChI=1S/C12H16N2O2/c1-16-12-10(13-7-8-14-12)11(15)9-5-3-2-4-6-9/h2-3,7-9,11,15H,4-6H2,1H3
InChIKeyNKCBBYLJNCULHX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.87
Rot. Bonds3

About cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol

cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol (PubChem CID 104514583) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol
PubChem CID104514583
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namecyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol
SMILESCOc1nccnc1C(O)C1CC=CCC1
InChIInChI=1S/C12H16N2O2/c1-16-12-10(13-7-8-14-12)11(15)9-5-3-2-4-6-9/h2-3,7-9,11,15H,4-6H2,1H3
InChIKeyNKCBBYLJNCULHX-UHFFFAOYSA-N
XLogP1.87
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol?
The IUPAC name of cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol (CID 104514583) is cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol is COc1nccnc1C(O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol?
The InChIKey is NKCBBYLJNCULHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12-10(13-7-8-14-12)11(15)9-5-3-2-4-6-9/h2-3,7-9,11,15H,4-6H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol?
cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol has a molecular weight of 220.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(3-methoxypyrazin-2-yl)methanol is sourced from PubChem (CID 104514583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).