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

C18H15NO3 — CID 174491073

IUPAC3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione
SMILESCOC1(C2c3ccccc3-c3ccccc32)CC(=O)NC1=O
InChIInChI=1S/C18H15NO3/c1-22-18(10-15(20)19-17(18)21)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16H,10H2,1H3,(H,19,20,21)
InChIKeyTZQKVCPPDAFHIT-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.23
Rot. Bonds2

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

3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione (PubChem CID 174491073) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione
PubChem CID174491073
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione
SMILESCOC1(C2c3ccccc3-c3ccccc32)CC(=O)NC1=O
InChIInChI=1S/C18H15NO3/c1-22-18(10-15(20)19-17(18)21)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16H,10H2,1H3,(H,19,20,21)
InChIKeyTZQKVCPPDAFHIT-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione (CID 174491073) is 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione is COC1(C2c3ccccc3-c3ccccc32)CC(=O)NC1=O.
What is the InChIKey of 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione?
The InChIKey is TZQKVCPPDAFHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-18(10-15(20)19-17(18)21)16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-9,16H,10H2,1H3,(H,19,20,21).
What are the key properties of 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione?
3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione has a molecular weight of 293.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-3-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 174491073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).