3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione

C13H10N2O3 — CID 142659888

IUPAC3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
SMILESC=Cc1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C13H10N2O3/c1-2-9-8-14-13(18)15(11(9)16)12(17)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,18)
InChIKeyGBCSXZAMWLYYGS-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.87
Rot. Bonds2

About 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione

3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione (PubChem CID 142659888) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
PubChem CID142659888
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
SMILESC=Cc1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C13H10N2O3/c1-2-9-8-14-13(18)15(11(9)16)12(17)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,18)
InChIKeyGBCSXZAMWLYYGS-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

1-benzoyl-5-ethenylpyrimidine-2,4-dione
CID 154453677
(3-benzoyl-2,4-dioxo-1H-pyrimidin-5-yl)methyl benzoate
CID 11428053
4-benzoyl-2H-1,2,4-triazine-3,5-dione
CID 12850111
3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 71535148
3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
CID 11506886
(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one
CID 134942845
(2,3-dimethylideneindol-1-yl)-phenylmethanone
CID 24978319
3-benzoyl-2-sulfanylidene-1H-quinazolin-4-one
CID 4771217
5-ethenyl-4-oxo-1H-pyridine-2-carboxylic acid
CID 74892714
3-(1-benzoyl-2-ethenylindol-4-yl)propanoic acid
CID 163433435
1,3-dibenzoyl-5-bromopyrimidine-2,4-dione
CID 142771041
3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione
CID 10755473

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione (CID 142659888) is 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione is C=Cc1c[nH]c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione?
The InChIKey is GBCSXZAMWLYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-2-9-8-14-13(18)15(11(9)16)12(17)10-6-4-3-5-7-10/h2-8H,1H2,(H,14,18).
What are the key properties of 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione?
3-benzoyl-5-ethenyl-1H-pyrimidine-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 3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142659888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).