(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one

C11H19NO — CID 163909402

IUPAC(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
SMILESC[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-9-7-11(13)12(8-9)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyQQUJSYBYZSOURX-VIFPVBQESA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds1

About (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one

(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one (PubChem CID 163909402) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
PubChem CID163909402
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
SMILESC[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C11H19NO/c1-9-7-11(13)12(8-9)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3/t9-/m0/s1
InChIKeyQQUJSYBYZSOURX-VIFPVBQESA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-1-cyclohexylpyrrolidin-2-one
CID 168688489
1-(2-aminocyclohexyl)-4-methylpyrrolidin-2-one
CID 67105616
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
4-amino-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 72716151
1-cyclohexyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 83533637
1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 154733807
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
7-methyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 78385872
(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carboxylate
CID 6920281
6-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131876212
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one (CID 163909402) is (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one is C[C@H]1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one?
The InChIKey is QQUJSYBYZSOURX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO/c1-9-7-11(13)12(8-9)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one?
(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclohexyl-4-methylpyrrolidin-2-one is sourced from PubChem (CID 163909402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).