(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate

C11H11FN2O3 — CID 13195030

IUPAC(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate
SMILESO=C1CC(OC(=O)Nc2cccc(F)c2)CN1
InChIInChI=1S/C11H11FN2O3/c12-7-2-1-3-8(4-7)14-11(16)17-9-5-10(15)13-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16)
InChIKeyOXDXMEOFAPTHKS-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.26
Rot. Bonds2

About (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate

(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate (PubChem CID 13195030) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate
PubChem CID13195030
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate
SMILESO=C1CC(OC(=O)Nc2cccc(F)c2)CN1
InChIInChI=1S/C11H11FN2O3/c12-7-2-1-3-8(4-7)14-11(16)17-9-5-10(15)13-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16)
InChIKeyOXDXMEOFAPTHKS-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate?
The IUPAC name of (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate (CID 13195030) is (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate?
The canonical SMILES for (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate is O=C1CC(OC(=O)Nc2cccc(F)c2)CN1.
What is the InChIKey of (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate?
The InChIKey is OXDXMEOFAPTHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-7-2-1-3-8(4-7)14-11(16)17-9-5-10(15)13-6-9/h1-4,9H,5-6H2,(H,13,15)(H,14,16).
What are the key properties of (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate?
(5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate has a molecular weight of 238.22 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl) N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 13195030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).