[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

C21H16N2O5 — CID 7632864

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(Cn1ccc(=O)[nH]c1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C21H16N2O5/c24-18(12-28-20(26)11-23-8-7-19(25)22-21(23)27)15-6-5-14-9-13-3-1-2-4-16(13)17(14)10-15/h1-8,10H,9,11-12H2,(H,22,25,27)
InChIKeyITRFNVPHVTXUJL-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.53
Rot. Bonds5

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 7632864) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
PubChem CID7632864
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
SMILESO=C(Cn1ccc(=O)[nH]c1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2
InChIInChI=1S/C21H16N2O5/c24-18(12-28-20(26)11-23-8-7-19(25)22-21(23)27)15-6-5-14-9-13-3-1-2-4-16(13)17(14)10-15/h1-8,10H,9,11-12H2,(H,22,25,27)
InChIKeyITRFNVPHVTXUJL-UHFFFAOYSA-N
XLogP1.53
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate with MolForge

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Related Compounds

[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632115
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489133
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 7779040
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 2438123
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855454
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570
1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 39040310
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 29155280
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632681
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,4-dioxopyrimidin-1-yl)propanoate
CID 90480570

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate (CID 7632864) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is O=C(Cn1ccc(=O)[nH]c1=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is ITRFNVPHVTXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c24-18(12-28-20(26)11-23-8-7-19(25)22-21(23)27)15-6-5-14-9-13-3-1-2-4-16(13)17(14)10-15/h1-8,10H,9,11-12H2,(H,22,25,27).
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 376.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 7632864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).