5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione

C8H10N2O3 — CID 18741244

IUPAC5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
SMILESCC(=O)Cn1c(C)c[nH]c(=O)c1=O
InChIInChI=1S/C8H10N2O3/c1-5-3-9-7(12)8(13)10(5)4-6(2)11/h3H,4H2,1-2H3,(H,9,12)
InChIKeyLXXKFCFWQLONFI-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.57
Rot. Bonds2

About 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione

5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione (PubChem CID 18741244) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
PubChem CID18741244
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
SMILESCC(=O)Cn1c(C)c[nH]c(=O)c1=O
InChIInChI=1S/C8H10N2O3/c1-5-3-9-7(12)8(13)10(5)4-6(2)11/h3H,4H2,1-2H3,(H,9,12)
InChIKeyLXXKFCFWQLONFI-UHFFFAOYSA-N
XLogP-0.57
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-Methylpyrazine-2,3(1H,4H)-dione
CID 12402307
4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 18741245
5,6-dioxo-4-(2-oxopropyl)-1H-pyrazine-3-carbaldehyde
CID 18741248
5,6-dioxo-4-(2-oxopropyl)-1H-pyrazine-3-carbonitrile
CID 18741250
4,6-dimethyl-1H-pyrazine-2,3-dione
CID 20646804
4-[(3S)-2-oxopentan-3-yl]-1H-pyrazine-2,3-dione
CID 59125794
3-(Methylamino)-1-(2-oxopropyl)pyridin-2-one
CID 59814437
4-prop-1-en-2-yl-1H-pyrazine-2,3-dione
CID 89260633
2-[3-(ethenylamino)prop-1-en-2-ylamino]-N-(2-oxopropyl)acetamide
CID 132193777
5-Tert-butyl-1,4-dihydropyrazine-2,3-dione
CID 134558447
5-[(E)-hydroxyiminomethyl]-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 135732227
5-[(Z)-hydroxyiminomethyl]-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 136602609

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione (CID 18741244) is 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione is CC(=O)Cn1c(C)c[nH]c(=O)c1=O.
What is the InChIKey of 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
The InChIKey is LXXKFCFWQLONFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-9-7(12)8(13)10(5)4-6(2)11/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione has a molecular weight of 182.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 18741244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).