9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate

C23H15NO4 — CID 7951283

IUPAC9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H15NO4/c25-20(13-24-22(26)18-11-5-6-12-19(18)23(24)27)28-21-16-9-3-1-7-14(16)15-8-2-4-10-17(15)21/h1-12,21H,13H2
InChIKeyJBLGJVKZVTXJCB-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.60
Rot. Bonds3

About 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate

9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 7951283) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID7951283
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESO=C(CN1C(=O)c2ccccc2C1=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H15NO4/c25-20(13-24-22(26)18-11-5-6-12-19(18)23(24)27)28-21-16-9-3-1-7-14(16)15-8-2-4-10-17(15)21/h1-12,21H,13H2
InChIKeyJBLGJVKZVTXJCB-UHFFFAOYSA-N
XLogP3.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

triethylstannyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 16684771
9H-fluoren-9-yl 2-phenoxyacetate
CID 7980307
2-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926526
(4-methylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7901050
[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxynaphthalen-1-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 5194640
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677881
9H-fluoren-9-yl 2-(4-bromophenyl)sulfanylacetate
CID 7903234
(2-fluorophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8764408
(2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
CID 679781
9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
CID 7856628

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate (CID 7951283) is 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate is O=C(CN1C(=O)c2ccccc2C1=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is JBLGJVKZVTXJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4/c25-20(13-24-22(26)18-11-5-6-12-19(18)23(24)27)28-21-16-9-3-1-7-14(16)15-8-2-4-10-17(15)21/h1-12,21H,13H2.
What are the key properties of 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate?
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 369.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 7951283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).