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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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).