1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one

C11H16N2O — CID 126985440

IUPAC1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one
SMILESCCC1(Cn2ccncc2=O)CCC1
InChIInChI=1S/C11H16N2O/c1-2-11(4-3-5-11)9-13-7-6-12-8-10(13)14/h6-8H,2-5,9H2,1H3
InChIKeyXRLHIHYBQAWGPJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.82
Rot. Bonds3

About 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one

1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one (PubChem CID 126985440) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one
PubChem CID126985440
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one
SMILESCCC1(Cn2ccncc2=O)CCC1
InChIInChI=1S/C11H16N2O/c1-2-11(4-3-5-11)9-13-7-6-12-8-10(13)14/h6-8H,2-5,9H2,1H3
InChIKeyXRLHIHYBQAWGPJ-UHFFFAOYSA-N
XLogP1.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one (CID 126985440) is 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one is CCC1(Cn2ccncc2=O)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one?
The InChIKey is XRLHIHYBQAWGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-11(4-3-5-11)9-13-7-6-12-8-10(13)14/h6-8H,2-5,9H2,1H3.
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one?
1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]pyrazin-2-one is sourced from PubChem (CID 126985440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).