1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one

C12H18N2O2 — CID 91163543

IUPAC1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one
SMILESCOCC(C1CC1)n1cc(C)nc(C)c1=O
InChIInChI=1S/C12H18N2O2/c1-8-6-14(12(15)9(2)13-8)11(7-16-3)10-4-5-10/h6,10-11H,4-5,7H2,1-3H3
InChIKeyMLGAHZAHPIZUIO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.46
Rot. Bonds4

About 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one

1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one (PubChem CID 91163543) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one
PubChem CID91163543
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one
SMILESCOCC(C1CC1)n1cc(C)nc(C)c1=O
InChIInChI=1S/C12H18N2O2/c1-8-6-14(12(15)9(2)13-8)11(7-16-3)10-4-5-10/h6,10-11H,4-5,7H2,1-3H3
InChIKeyMLGAHZAHPIZUIO-UHFFFAOYSA-N
XLogP1.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-cyclopropyl-2-methoxyethyl]-5-iodo-3-methylpyrazin-2-one
CID 68372359

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one?
The IUPAC name of 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one (CID 91163543) is 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one.
What is the SMILES notation for 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one?
The canonical SMILES for 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one is COCC(C1CC1)n1cc(C)nc(C)c1=O.
What is the InChIKey of 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one?
The InChIKey is MLGAHZAHPIZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-14(12(15)9(2)13-8)11(7-16-3)10-4-5-10/h6,10-11H,4-5,7H2,1-3H3.
What are the key properties of 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one?
1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-2-methoxyethyl)-3,5-dimethylpyrazin-2-one is sourced from PubChem (CID 91163543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).