4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one

C15H28N2O — CID 104512063

IUPAC4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCCC2CCCN2)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-10-14(18)17(11-12)9-5-7-13-6-4-8-16-13/h12-13,16H,4-11H2,1-3H3
InChIKeyVILNCUHVVAPLQC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds4

About 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one

4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one (PubChem CID 104512063) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one
PubChem CID104512063
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(CCCC2CCCN2)C1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-10-14(18)17(11-12)9-5-7-13-6-4-8-16-13/h12-13,16H,4-11H2,1-3H3
InChIKeyVILNCUHVVAPLQC-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one 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 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one (CID 104512063) is 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(CCCC2CCCN2)C1.
What is the InChIKey of 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one?
The InChIKey is VILNCUHVVAPLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)12-10-14(18)17(11-12)9-5-7-13-6-4-8-16-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one?
4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3-pyrrolidin-2-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 104512063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).