1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one

C13H23NO2 — CID 3095705

IUPAC1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C13H23NO2/c1-12(2)9-11(15)14(13(12,3)16)10-7-5-4-6-8-10/h10,16H,4-9H2,1-3H3
InChIKeyFOODFMPGWHYOEN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.29
Rot. Bonds1

About 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one

1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one (PubChem CID 3095705) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
PubChem CID3095705
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(C2CCCCC2)C1(C)O
InChIInChI=1S/C13H23NO2/c1-12(2)9-11(15)14(13(12,3)16)10-7-5-4-6-8-10/h10,16H,4-9H2,1-3H3
InChIKeyFOODFMPGWHYOEN-UHFFFAOYSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one (CID 3095705) is 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one is CC1(C)CC(=O)N(C2CCCCC2)C1(C)O.
What is the InChIKey of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
The InChIKey is FOODFMPGWHYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2)9-11(15)14(13(12,3)16)10-7-5-4-6-8-10/h10,16H,4-9H2,1-3H3.
What are the key properties of 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one?
1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hydroxy-4,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 3095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).