(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one

C11H21NO — CID 58465109

IUPAC(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@H]1CCC(=O)N1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(2)9-6-7-10(13)12(9)11(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyLRRLHKDJFHYXLR-SECBINFHSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds1

About (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one

(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one (PubChem CID 58465109) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
PubChem CID58465109
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one
SMILESCC(C)[C@H]1CCC(=O)N1C(C)(C)C
InChIInChI=1S/C11H21NO/c1-8(2)9-6-7-10(13)12(9)11(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyLRRLHKDJFHYXLR-SECBINFHSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-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 (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one (CID 58465109) is (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one is CC(C)[C@H]1CCC(=O)N1C(C)(C)C.
What is the InChIKey of (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is LRRLHKDJFHYXLR-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)9-6-7-10(13)12(9)11(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one?
(5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-tert-butyl-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 58465109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).