(5-oxopyrrolidin-3-yl) benzoate

C11H11NO3 — CID 13195060

IUPAC(5-oxopyrrolidin-3-yl) benzoate
SMILESO=C1CC(OC(=O)c2ccccc2)CN1
InChIInChI=1S/C11H11NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyZGBMPGKGTDOIBF-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.73
Rot. Bonds2

About (5-oxopyrrolidin-3-yl) benzoate

(5-oxopyrrolidin-3-yl) benzoate (PubChem CID 13195060) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl) benzoate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl) benzoate
PubChem CID13195060
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(5-oxopyrrolidin-3-yl) benzoate
SMILESO=C1CC(OC(=O)c2ccccc2)CN1
InChIInChI=1S/C11H11NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyZGBMPGKGTDOIBF-UHFFFAOYSA-N
XLogP0.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-3-yl) benzoate?
The IUPAC name of (5-oxopyrrolidin-3-yl) benzoate (CID 13195060) is (5-oxopyrrolidin-3-yl) benzoate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl) benzoate?
The canonical SMILES for (5-oxopyrrolidin-3-yl) benzoate is O=C1CC(OC(=O)c2ccccc2)CN1.
What is the InChIKey of (5-oxopyrrolidin-3-yl) benzoate?
The InChIKey is ZGBMPGKGTDOIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13).
What are the key properties of (5-oxopyrrolidin-3-yl) benzoate?
(5-oxopyrrolidin-3-yl) benzoate has a molecular weight of 205.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl) benzoate is sourced from PubChem (CID 13195060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).