9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate

C19H15NO4 — CID 70186299

IUPAC9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
SMILESO=C1CCC(=O)N1C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H15NO4/c21-17-8-9-18(22)20(17)19(23)24-11-13-5-3-7-15-14-6-2-1-4-12(14)10-16(13)15/h1-7H,8-11H2
InChIKeyNUCXYBQPKQTHRU-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.04
Rot. Bonds2

About 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate

9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate (PubChem CID 70186299) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
PubChem CID70186299
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate
SMILESO=C1CCC(=O)N1C(=O)OCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C19H15NO4/c21-17-8-9-18(22)20(17)19(23)24-11-13-5-3-7-15-14-6-2-1-4-12(14)10-16(13)15/h1-7H,8-11H2
InChIKeyNUCXYBQPKQTHRU-UHFFFAOYSA-N
XLogP3.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate (CID 70186299) is 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate is O=C1CCC(=O)N1C(=O)OCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate?
The InChIKey is NUCXYBQPKQTHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-17-8-9-18(22)20(17)19(23)24-11-13-5-3-7-15-14-6-2-1-4-12(14)10-16(13)15/h1-7H,8-11H2.
What are the key properties of 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate?
9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-ylmethyl 2,5-dioxopyrrolidine-1-carboxylate is sourced from PubChem (CID 70186299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).