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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Related Compounds

N-(2-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 83192944
N-[2-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78983231
N-(2-amino-3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 81486208
N-(2-methylsulfinylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 115764461
N-(3-methoxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78983025
N-(2-ethyl-2-hydroxybutyl)-5-oxopyrrolidine-3-carboxamide
CID 79039925
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
N-(2-ethylbutyl)piperidine-4-carboxamide
CID 115733723
N-(2-chloroprop-2-enyl)-5-oxopyrrolidine-3-carboxamide
CID 115636687
N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 113228049
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-aminoethyl)-5-oxopyrrolidine-3-carboxamide
CID 81459469

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).