1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one

C10H14N2O2 — CID 130538368

IUPAC1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
SMILESCC1CCC(Cn2ccncc2=O)O1
InChIInChI=1S/C10H14N2O2/c1-8-2-3-9(14-8)7-12-5-4-11-6-10(12)13/h4-6,8-9H,2-3,7H2,1H3
InChIKeyAWRNTJNVMHJIIO-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.81
Rot. Bonds2

About 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one

1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one (PubChem CID 130538368) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
PubChem CID130538368
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
SMILESCC1CCC(Cn2ccncc2=O)O1
InChIInChI=1S/C10H14N2O2/c1-8-2-3-9(14-8)7-12-5-4-11-6-10(12)13/h4-6,8-9H,2-3,7H2,1H3
InChIKeyAWRNTJNVMHJIIO-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
The IUPAC name of 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one (CID 130538368) is 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one.
What is the SMILES notation for 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
The canonical SMILES for 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one is CC1CCC(Cn2ccncc2=O)O1.
What is the InChIKey of 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
The InChIKey is AWRNTJNVMHJIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-2-3-9(14-8)7-12-5-4-11-6-10(12)13/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one?
1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one is sourced from PubChem (CID 130538368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).