(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one

C11H21NO — CID 163585594

IUPAC(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1CCC(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)8-7-9-5-6-10(13)12(9)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyNOZJZHVYDQOXFB-SECBINFHSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds2

About (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one

(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one (PubChem CID 163585594) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one
PubChem CID163585594
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC[C@@H]1CCC(C)(C)C
InChIInChI=1S/C11H21NO/c1-11(2,3)8-7-9-5-6-10(13)12(9)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyNOZJZHVYDQOXFB-SECBINFHSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-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)-5-(2-hydroxyethyl)-1-methylpyrrolidin-2-one
CID 130735003
14-(2-cyclohexylethyl)-1-methyl-azacyclotetradecan-2-one
CID 11727411
(5S)-5-(ethylaminomethyl)-1-methylpyrrolidin-2-one
CID 146339666
(5R)-1-methyl-5-[(oxan-4-ylamino)methyl]pyrrolidin-2-one
CID 100665424
5-[[cyclobutyl(methyl)amino]methyl]-1-methylpyrrolidin-2-one
CID 126856976
(5S)-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-2-one
CID 100665400
5-amino-1-(3,3-dimethylbutyl)piperidin-2-one
CID 64977979
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
1-tert-butyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 14509069
5-bromo-1-methylpyrrolidin-2-one
CID 123191216
(5S)-1-methyl-5-[(4-methylphenyl)sulfonylmethyl]pyrrolidin-2-one
CID 57001804
1-(3,3-dimethylbutyl)-3-methyl-1,4-diazepane-2,5-dione
CID 64883352

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one (CID 163585594) is (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC[C@@H]1CCC(C)(C)C.
What is the InChIKey of (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one?
The InChIKey is NOZJZHVYDQOXFB-SECBINFHSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,3)8-7-9-5-6-10(13)12(9)4/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one?
(5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,3-dimethylbutyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 163585594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).