(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide

C13H24N2O2 — CID 71933133

IUPAC(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCCCC(CC)CNC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-10(4-2)9-14-13(17)11-7-8-12(16)15-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)/t10?,11-/m1/s1
InChIKeyJGRJKHHOGDFBEX-RRKGBCIJSA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds7

About (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide

(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 71933133) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID71933133
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCCCC(CC)CNC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C13H24N2O2/c1-3-5-6-10(4-2)9-14-13(17)11-7-8-12(16)15-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)/t10?,11-/m1/s1
InChIKeyJGRJKHHOGDFBEX-RRKGBCIJSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide (CID 71933133) is (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide is CCCCC(CC)CNC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is JGRJKHHOGDFBEX-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-5-6-10(4-2)9-14-13(17)11-7-8-12(16)15-11/h10-11H,3-9H2,1-2H3,(H,14,17)(H,15,16)/t10?,11-/m1/s1.
What are the key properties of (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethylhexyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71933133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).