1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone

C10H14N2O2 — CID 101009035

IUPAC1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone
SMILESCC(=O)N1C=C(C)N(C(C)=O)C=C1C
InChIInChI=1S/C10H14N2O2/c1-7-5-12(10(4)14)8(2)6-11(7)9(3)13/h5-6H,1-4H3
InChIKeyTZJXCCICYRISKM-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.42
Rot. Bonds

About 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone

1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone (PubChem CID 101009035) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone
PubChem CID101009035
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone
SMILESCC(=O)N1C=C(C)N(C(C)=O)C=C1C
InChIInChI=1S/C10H14N2O2/c1-7-5-12(10(4)14)8(2)6-11(7)9(3)13/h5-6H,1-4H3
InChIKeyTZJXCCICYRISKM-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-ethyl-N-prop-1-en-2-ylacetamide
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N-propan-2-yl-N-prop-1-en-2-ylacetamide
CID 20696418
4-Acetyl-6-methyl-2,3-dihydropyrazine-1-carbaldehyde
CID 53714164
1-(2-Methylazirin-1-yl)ethanone
CID 69885436
N-[2-[ethyl(prop-1-en-2-yl)amino]ethyl]-N-methylacetamide
CID 89020628
N-(cyanomethyl)-N-prop-1-en-2-ylacetamide
CID 89910308
N-ethenyl-N-prop-1-en-2-ylacetamide
CID 91219283
N-methyl-N-[(E)-1-[methyl-[(Z)-prop-1-enyl]amino]prop-1-en-2-yl]acetamide
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ethane;N-methyl-N-prop-1-en-2-ylacetamide
CID 143972012

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone?
The IUPAC name of 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone (CID 101009035) is 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone?
The canonical SMILES for 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone is CC(=O)N1C=C(C)N(C(C)=O)C=C1C.
What is the InChIKey of 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone?
The InChIKey is TZJXCCICYRISKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-12(10(4)14)8(2)6-11(7)9(3)13/h5-6H,1-4H3.
What are the key properties of 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone?
1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-2,5-dimethylpyrazin-1-yl)ethanone is sourced from PubChem (CID 101009035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).