N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide

C11H20N2O2 — CID 115613116

IUPACN-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CC)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H20N2O2/c1-3-8(4-2)6-13-11(15)9-5-10(14)12-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZFQGAWMFBQNADT-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds5

About N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide

N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 115613116) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID115613116
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(CC)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C11H20N2O2/c1-3-8(4-2)6-13-11(15)9-5-10(14)12-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyZFQGAWMFBQNADT-UHFFFAOYSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 115613116) is N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide is CCC(CC)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZFQGAWMFBQNADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-8(4-2)6-13-11(15)9-5-10(14)12-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 115613116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).