3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione

C16H12N2O4 — CID 132530733

IUPAC3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione
SMILESO=C1CCC=C1n1ccc(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C16H12N2O4/c19-13-8-4-7-12(13)17-10-9-14(20)18(16(17)22)15(21)11-5-2-1-3-6-11/h1-3,5-7,9-10H,4,8H2
InChIKeyKRVUTJFFKQWKIE-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.90
Rot. Bonds2

About 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione

3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione (PubChem CID 132530733) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione
PubChem CID132530733
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione
SMILESO=C1CCC=C1n1ccc(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C16H12N2O4/c19-13-8-4-7-12(13)17-10-9-14(20)18(16(17)22)15(21)11-5-2-1-3-6-11/h1-3,5-7,9-10H,4,8H2
InChIKeyKRVUTJFFKQWKIE-UHFFFAOYSA-N
XLogP0.90
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzoyl-1-(4-hydroxycyclohexyl)pyrimidine-2,4-dione
CID 25267898
3-(3-benzoyl-2,4-dioxopyrimidin-1-yl)propanal
CID 170428858
trans-diethyl (1R,2R)-4-(3-benzoyl-2,4-dioxopyrimidin-1-yl)cyclopentane-1,2-dicarboxylate
CID 71518044
1-[(4aR,7S,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-3-benzoylpyrimidine-2,4-dione
CID 10071574
3-benzoyl-1-(2-naphthalen-2-yloxyethyl)pyrimidine-2,4-dione
CID 132500082
3-benzoyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 59718464
3-benzoyl-1-[(3S)-4-methylideneoxolan-3-yl]pyrimidine-2,4-dione
CID 102372543
1-[3-(benzhydrylamino)propyl]-3-benzoylpyrimidine-2,4-dione
CID 131846915
[(2R,3R,4R,5R)-4-acetyloxy-5-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-2-(methylsulfonyloxymethyl)oxolan-3-yl] acetate
CID 23255466
[(2R,3R,4R,5R)-5-(3-benzoyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] benzoate
CID 169189332
[(1R,4S)-4-(3-benzoyl-2,4-dioxopyrimidin-1-yl)cyclohex-2-en-1-yl] 4-nitrobenzoate
CID 25267894
3-benzoyl-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-2-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
CID 151652263

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione (CID 132530733) is 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione is O=C1CCC=C1n1ccc(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione?
The InChIKey is KRVUTJFFKQWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-13-8-4-7-12(13)17-10-9-14(20)18(16(17)22)15(21)11-5-2-1-3-6-11/h1-3,5-7,9-10H,4,8H2.
What are the key properties of 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione?
3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione has a molecular weight of 296.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-(5-oxocyclopenten-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 132530733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).