ethane;1-(4-methylcyclohexyl)pyrazin-2-one

C15H28N2O — CID 142881088

IUPACethane;1-(4-methylcyclohexyl)pyrazin-2-one
SMILESCC.CC.CC1CCC(n2ccncc2=O)CC1
InChIInChI=1S/C11H16N2O.2C2H6/c1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;2*1-2/h6-10H,2-5H2,1H3;2*1-2H3
InChIKeyAECBBQUQEWQCID-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.05
Rot. Bonds1

About ethane;1-(4-methylcyclohexyl)pyrazin-2-one

ethane;1-(4-methylcyclohexyl)pyrazin-2-one (PubChem CID 142881088) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is ethane;1-(4-methylcyclohexyl)pyrazin-2-one.

Molecular Properties

Compound Nameethane;1-(4-methylcyclohexyl)pyrazin-2-one
PubChem CID142881088
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Nameethane;1-(4-methylcyclohexyl)pyrazin-2-one
SMILESCC.CC.CC1CCC(n2ccncc2=O)CC1
InChIInChI=1S/C11H16N2O.2C2H6/c1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;2*1-2/h6-10H,2-5H2,1H3;2*1-2H3
InChIKeyAECBBQUQEWQCID-UHFFFAOYSA-N
XLogP4.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylcyclohexyl)pyrazin-2-one?
The IUPAC name of ethane;1-(4-methylcyclohexyl)pyrazin-2-one (CID 142881088) is ethane;1-(4-methylcyclohexyl)pyrazin-2-one.
What is the SMILES notation for ethane;1-(4-methylcyclohexyl)pyrazin-2-one?
The canonical SMILES for ethane;1-(4-methylcyclohexyl)pyrazin-2-one is CC.CC.CC1CCC(n2ccncc2=O)CC1.
What is the InChIKey of ethane;1-(4-methylcyclohexyl)pyrazin-2-one?
The InChIKey is AECBBQUQEWQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.2C2H6/c1-9-2-4-10(5-3-9)13-7-6-12-8-11(13)14;2*1-2/h6-10H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-(4-methylcyclohexyl)pyrazin-2-one?
ethane;1-(4-methylcyclohexyl)pyrazin-2-one has a molecular weight of 252.40 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylcyclohexyl)pyrazin-2-one is sourced from PubChem (CID 142881088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).