5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione

C9H10N2O3 — CID 54009463

IUPAC5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
SMILESCC(=O)C=Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O3/c1-6-5-11(4-3-7(2)12)9(14)10-8(6)13/h3-5H,1-2H3,(H,10,13,14)
InChIKeyKRGOZWZPQZMGPU-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.10
Rot. Bonds2

About 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione

5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione (PubChem CID 54009463) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
PubChem CID54009463
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
SMILESCC(=O)C=Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H10N2O3/c1-6-5-11(4-3-7(2)12)9(14)10-8(6)13/h3-5H,1-2H3,(H,10,13,14)
InChIKeyKRGOZWZPQZMGPU-UHFFFAOYSA-N
XLogP-0.10
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CID 11344568
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 89429421
1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 91234454
1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
CID 5470771
sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
CID 139627493
1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 102145297
1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 6536769
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione (CID 54009463) is 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione is CC(=O)C=Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione?
The InChIKey is KRGOZWZPQZMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-5-11(4-3-7(2)12)9(14)10-8(6)13/h3-5H,1-2H3,(H,10,13,14).
What are the key properties of 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione?
5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione has a molecular weight of 194.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 54009463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).