2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone

C13H18N2O — CID 105089049

IUPAC2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)CC2CCCCC2)cn1
InChIInChI=1S/C13H18N2O/c1-10-8-15-12(9-14-10)13(16)7-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyGDMBKTMVDFVOIG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone

2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 105089049) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID105089049
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)CC2CCCCC2)cn1
InChIInChI=1S/C13H18N2O/c1-10-8-15-12(9-14-10)13(16)7-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3
InChIKeyGDMBKTMVDFVOIG-UHFFFAOYSA-N
XLogP2.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
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2-hydroxy-1-(5-methylpyrazin-2-yl)ethanone
CID 121394382
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
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2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone
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2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
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2-cyclohexyl-1-(2-methyl-4-pyridinyl)ethanone
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N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-5-methylpyrazine-2-carboxamide
CID 67556738
1-(5-methylpyrazin-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
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CID 86768809

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone (CID 105089049) is 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)CC2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is GDMBKTMVDFVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-15-12(9-14-10)13(16)7-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone?
2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 105089049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).