1-benzoyl-5-ethenylpyrimidine-2,4-dione

C13H10N2O3 — CID 154453677

IUPAC1-benzoyl-5-ethenylpyrimidine-2,4-dione
SMILESC=Cc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H10N2O3/c1-2-9-8-15(13(18)14-11(9)16)12(17)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,16,18)
InChIKeyLDYRZNCPKKLCOH-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.87
Rot. Bonds2

About 1-benzoyl-5-ethenylpyrimidine-2,4-dione

1-benzoyl-5-ethenylpyrimidine-2,4-dione (PubChem CID 154453677) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-benzoyl-5-ethenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzoyl-5-ethenylpyrimidine-2,4-dione
PubChem CID154453677
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-benzoyl-5-ethenylpyrimidine-2,4-dione
SMILESC=Cc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H10N2O3/c1-2-9-8-15(13(18)14-11(9)16)12(17)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,16,18)
InChIKeyLDYRZNCPKKLCOH-UHFFFAOYSA-N
XLogP0.87
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
CID 142659888
[3,4-dibenzoyloxy-5-(5-ethenyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 18458126
(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one
CID 134942845
2-benzoyl-4-methyl-1H-pyrazol-5-one
CID 91619803
4-benzoyl-2H-1,2,4-triazine-3,5-dione
CID 12850111
benzoyl benzenecarboperoxoate;2-ethenylphenol
CID 174484320
5-ethenyl-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
CID 68634145
(4-benzoyloxy-5-chloro-2-pyridinyl) 3-(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)benzoate
CID 22150316
3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
CID 11506886
1,3-dibenzoyl-5-bromopyrimidine-2,4-dione
CID 142771041
1-benzoyl-4-bromoindole-3-carbaldehyde
CID 155678231
N-[(E)-1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]benzamide
CID 135398902

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-ethenylpyrimidine-2,4-dione?
The IUPAC name of 1-benzoyl-5-ethenylpyrimidine-2,4-dione (CID 154453677) is 1-benzoyl-5-ethenylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzoyl-5-ethenylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzoyl-5-ethenylpyrimidine-2,4-dione is C=Cc1cn(C(=O)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzoyl-5-ethenylpyrimidine-2,4-dione?
The InChIKey is LDYRZNCPKKLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-2-9-8-15(13(18)14-11(9)16)12(17)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,16,18).
What are the key properties of 1-benzoyl-5-ethenylpyrimidine-2,4-dione?
1-benzoyl-5-ethenylpyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-ethenylpyrimidine-2,4-dione is sourced from PubChem (CID 154453677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).