5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide

C16H20N2O3 — CID 127738812

IUPAC5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC(c2ccccc2)C2CCOC2)N1
InChIInChI=1S/C16H20N2O3/c19-14-7-6-13(17-14)16(20)18-15(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2,(H,17,19)(H,18,20)
InChIKeyREMJOPWUWSLWKZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.16
Rot. Bonds4

About 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide

5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 127738812) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID127738812
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)NC(c2ccccc2)C2CCOC2)N1
InChIInChI=1S/C16H20N2O3/c19-14-7-6-13(17-14)16(20)18-15(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2,(H,17,19)(H,18,20)
InChIKeyREMJOPWUWSLWKZ-UHFFFAOYSA-N
XLogP1.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide (CID 127738812) is 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide is O=C1CCC(C(=O)NC(c2ccccc2)C2CCOC2)N1.
What is the InChIKey of 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is REMJOPWUWSLWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-14-7-6-13(17-14)16(20)18-15(12-8-9-21-10-12)11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2,(H,17,19)(H,18,20).
What are the key properties of 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide?
5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[oxolan-3-yl(phenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 127738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).