(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one

C15H21NO — CID 141337970

IUPAC(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)13-9-10-14(17)16(13)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyYDKIWEZYCGVWGP-ZDUSSCGKSA-N
MW231.34 g/mol
LogP3.22
Rot. Bonds2

About (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one

(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one (PubChem CID 141337970) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
PubChem CID141337970
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)[C@@H]1CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-15(2,3)13-9-10-14(17)16(13)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKeyYDKIWEZYCGVWGP-ZDUSSCGKSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S)-1-benzyl-5-tert-butylpyrrolidin-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

Related Compounds

(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
(5S)-1-benzyl-5-(2,2-dimethylpropylsilyloxymethyl)pyrrolidin-2-one
CID 174107453
CID 169193090
CID 169193090
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470
(5S)-1-benzyl-5-(2,2-dimethylpropylsilylperoxymethyl)pyrrolidin-2-one
CID 175594357
1-benzyl-5-(methylsulfonylmethyl)pyrrolidin-2-one
CID 102568331
1-benzyl-5-(ethylsulfonylmethyl)pyrrolidin-2-one
CID 102568332
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one (CID 141337970) is (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one is CC(C)(C)[C@@H]1CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one?
The InChIKey is YDKIWEZYCGVWGP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)13-9-10-14(17)16(13)11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one?
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 141337970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).