2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone

C13H18N2O2 — CID 116750925

IUPAC2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
SMILESCOC(C(=O)c1cnccn1)C1CCCCC1
InChIInChI=1S/C13H18N2O2/c1-17-13(10-5-3-2-4-6-10)12(16)11-9-14-7-8-15-11/h7-10,13H,2-6H2,1H3
InChIKeyAJRRXHYRCQZAHC-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.25
Rot. Bonds4

About 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone

2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone (PubChem CID 116750925) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
PubChem CID116750925
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
SMILESCOC(C(=O)c1cnccn1)C1CCCCC1
InChIInChI=1S/C13H18N2O2/c1-17-13(10-5-3-2-4-6-10)12(16)11-9-14-7-8-15-11/h7-10,13H,2-6H2,1H3
InChIKeyAJRRXHYRCQZAHC-UHFFFAOYSA-N
XLogP2.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]azanium;methyl (2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetate;1-pyrazin-2-ylethanone;hydrochloride
CID 157107091
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]pyrazine-2-carboxamide
CID 95292177
2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 3184738
propan-2-yl pyrazine-2-carboxylate
CID 3022328
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone (CID 116750925) is 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone is COC(C(=O)c1cnccn1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone?
The InChIKey is AJRRXHYRCQZAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-13(10-5-3-2-4-6-10)12(16)11-9-14-7-8-15-11/h7-10,13H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone?
2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone is sourced from PubChem (CID 116750925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).