5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide

C12H22N2O2 — CID 102610483

IUPAC5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C12H22N2O2/c1-8(2)12(3,4)7-14-11(16)9-5-10(15)13-6-9/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyBGNBWCBKXHFKSB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds4

About 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide

5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide (PubChem CID 102610483) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
PubChem CID102610483
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)C1CNC(=O)C1
InChIInChI=1S/C12H22N2O2/c1-8(2)12(3,4)7-14-11(16)9-5-10(15)13-6-9/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyBGNBWCBKXHFKSB-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide (CID 102610483) is 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide is CC(C)C(C)(C)CNC(=O)C1CNC(=O)C1.
What is the InChIKey of 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is BGNBWCBKXHFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)12(3,4)7-14-11(16)9-5-10(15)13-6-9/h8-9H,5-7H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide?
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 102610483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).