(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate

C12H14N2O3 — CID 13195045

IUPAC(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
SMILESO=C1CC(COC(=O)Nc2ccccc2)CN1
InChIInChI=1S/C12H14N2O3/c15-11-6-9(7-13-11)8-17-12(16)14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,15)(H,14,16)
InChIKeyLKDVRKIXOFHNHV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.37
Rot. Bonds3

About (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate

(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate (PubChem CID 13195045) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
PubChem CID13195045
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
SMILESO=C1CC(COC(=O)Nc2ccccc2)CN1
InChIInChI=1S/C12H14N2O3/c15-11-6-9(7-13-11)8-17-12(16)14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,15)(H,14,16)
InChIKeyLKDVRKIXOFHNHV-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.37
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)methyl N-phenylcarbamate?
The IUPAC name of (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate (CID 13195045) is (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate?
The canonical SMILES for (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate is O=C1CC(COC(=O)Nc2ccccc2)CN1.
What is the InChIKey of (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate?
The InChIKey is LKDVRKIXOFHNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-6-9(7-13-11)8-17-12(16)14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,15)(H,14,16).
What are the key properties of (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate?
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate has a molecular weight of 234.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate is sourced from PubChem (CID 13195045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).