3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione

C17H13NO2 — CID 67856410

IUPAC3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2c3ccccc3-c3ccccc32)C(=O)N1
InChIInChI=1S/C17H13NO2/c19-15-9-14(17(20)18-15)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19,20)
InChIKeyKMNDOBFDFOKPKB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.46
Rot. Bonds1

About 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione

3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione (PubChem CID 67856410) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione
PubChem CID67856410
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(C2c3ccccc3-c3ccccc32)C(=O)N1
InChIInChI=1S/C17H13NO2/c19-15-9-14(17(20)18-15)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19,20)
InChIKeyKMNDOBFDFOKPKB-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione (CID 67856410) is 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione is O=C1CC(C2c3ccccc3-c3ccccc32)C(=O)N1.
What is the InChIKey of 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione?
The InChIKey is KMNDOBFDFOKPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-15-9-14(17(20)18-15)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8,14,16H,9H2,(H,18,19,20).
What are the key properties of 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione?
3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 67856410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).