1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one

C10H12N2O2 — CID 130571142

IUPAC1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one
SMILESCc1nccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C10H12N2O2/c1-7-10(14)12(5-4-11-7)6-9(13)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyRFQFHWLTXVCASL-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.53
Rot. Bonds3

About 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one

1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one (PubChem CID 130571142) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one
PubChem CID130571142
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one
SMILESCc1nccn(CC(=O)C2CC2)c1=O
InChIInChI=1S/C10H12N2O2/c1-7-10(14)12(5-4-11-7)6-9(13)8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeyRFQFHWLTXVCASL-UHFFFAOYSA-N
XLogP0.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one?
The IUPAC name of 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one (CID 130571142) is 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one?
The canonical SMILES for 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one is Cc1nccn(CC(=O)C2CC2)c1=O.
What is the InChIKey of 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one?
The InChIKey is RFQFHWLTXVCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-10(14)12(5-4-11-7)6-9(13)8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one?
1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-oxoethyl)-3-methylpyrazin-2-one is sourced from PubChem (CID 130571142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).