1-(cyclobutylmethyl)-3-methylpyrazin-2-one

C10H14N2O — CID 130571206

IUPAC1-(cyclobutylmethyl)-3-methylpyrazin-2-one
SMILESCc1nccn(CC2CCC2)c1=O
InChIInChI=1S/C10H14N2O/c1-8-10(13)12(6-5-11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyOGBDVNAGOKWIPZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.35
Rot. Bonds2

About 1-(cyclobutylmethyl)-3-methylpyrazin-2-one

1-(cyclobutylmethyl)-3-methylpyrazin-2-one (PubChem CID 130571206) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-methylpyrazin-2-one
PubChem CID130571206
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(cyclobutylmethyl)-3-methylpyrazin-2-one
SMILESCc1nccn(CC2CCC2)c1=O
InChIInChI=1S/C10H14N2O/c1-8-10(13)12(6-5-11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyOGBDVNAGOKWIPZ-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-methylpyrazin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-methylpyrazin-2-one (CID 130571206) is 1-(cyclobutylmethyl)-3-methylpyrazin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-methylpyrazin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-methylpyrazin-2-one is Cc1nccn(CC2CCC2)c1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-3-methylpyrazin-2-one?
The InChIKey is OGBDVNAGOKWIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-10(13)12(6-5-11-8)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-methylpyrazin-2-one?
1-(cyclobutylmethyl)-3-methylpyrazin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-methylpyrazin-2-one is sourced from PubChem (CID 130571206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).