2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate

C13H16N2O3 — CID 117060433

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCN1CCCC1=O
InChIInChI=1S/C13H16N2O3/c16-12-7-4-8-15(12)9-10-18-13(17)14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17)
InChIKeyPOVNQHUFOMAXKH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate

2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate (PubChem CID 117060433) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
PubChem CID117060433
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCCN1CCCC1=O
InChIInChI=1S/C13H16N2O3/c16-12-7-4-8-15(12)9-10-18-13(17)14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17)
InChIKeyPOVNQHUFOMAXKH-UHFFFAOYSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-oxopyrrolidin-1-yl)ethyl (Z)-2-cyano-3-phenylprop-2-enoate
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2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
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2-(2-oxopyrrolidin-1-yl)ethyl N-[3-[[4-oxo-1-(3,4,5-trifluorophenyl)pyridazin-3-yl]methyl]phenyl]carbamate
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4-O-benzyl 1-O-[2-(2-oxopiperidin-1-yl)ethyl] 2-methylidenebutanedioate
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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate (CID 117060433) is 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate?
The InChIKey is POVNQHUFOMAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12-7-4-8-15(12)9-10-18-13(17)14-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,17).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate?
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate has a molecular weight of 248.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate is sourced from PubChem (CID 117060433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).