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

C11H12N2O2 — CID 130518104

IUPAC2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one
SMILESCOc1nccnc1C1=CCCCC1=O
InChIInChI=1S/C11H12N2O2/c1-15-11-10(12-6-7-13-11)8-4-2-3-5-9(8)14/h4,6-7H,2-3,5H2,1H3
InChIKeyICRCIDVOCGTOKJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.62
Rot. Bonds2

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

2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one (PubChem CID 130518104) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one
PubChem CID130518104
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one
SMILESCOc1nccnc1C1=CCCCC1=O
InChIInChI=1S/C11H12N2O2/c1-15-11-10(12-6-7-13-11)8-4-2-3-5-9(8)14/h4,6-7H,2-3,5H2,1H3
InChIKeyICRCIDVOCGTOKJ-UHFFFAOYSA-N
XLogP1.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one (CID 130518104) is 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one is COc1nccnc1C1=CCCCC1=O.
What is the InChIKey of 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one?
The InChIKey is ICRCIDVOCGTOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-11-10(12-6-7-13-11)8-4-2-3-5-9(8)14/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one?
2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one has a molecular weight of 204.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrazin-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 130518104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).