5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione

C15H14N2O3 — CID 80642785

IUPAC5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC2Cc3ccccc32)c1=O
InChIInChI=1S/C15H14N2O3/c1-9(18)13-7-16-15(20)17(14(13)19)8-11-6-10-4-2-3-5-12(10)11/h2-5,7,11H,6,8H2,1H3,(H,16,20)
InChIKeyIRGZFYISVPQOJZ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.08
Rot. Bonds3

About 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 80642785) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID80642785
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CC2Cc3ccccc32)c1=O
InChIInChI=1S/C15H14N2O3/c1-9(18)13-7-16-15(20)17(14(13)19)8-11-6-10-4-2-3-5-12(10)11/h2-5,7,11H,6,8H2,1H3,(H,16,20)
InChIKeyIRGZFYISVPQOJZ-UHFFFAOYSA-N
XLogP1.08
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-acetyl-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methylpyrimidine-2,4-dione
CID 80649761
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-ethylbenzimidazol-2-one
CID 116621220
5-acetyl-3-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 80643350
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
5-acetyl-3-[(3-methyl-2-pyridinyl)methyl]-1H-pyrimidine-2,4-dione
CID 80643852
5-acetyl-3-[(5-bromothiophen-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 80643216
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-benzimidazole-2-thione
CID 66409314
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66419546
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrazole-3-carboxylic acid
CID 66419926
3-(azetidin-3-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 116680722
1-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-4-methoxyphenyl]ethanone
CID 82003693
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 115780164

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione (CID 80642785) is 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CC2Cc3ccccc32)c1=O.
What is the InChIKey of 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is IRGZFYISVPQOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9(18)13-7-16-15(20)17(14(13)19)8-11-6-10-4-2-3-5-12(10)11/h2-5,7,11H,6,8H2,1H3,(H,16,20).
What are the key properties of 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80642785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).