4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one

C13H23NO2 — CID 168701862

IUPAC4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
SMILESCC(C)C1CCC(N2CC(O)CC2=O)CC1
InChIInChI=1S/C13H23NO2/c1-9(2)10-3-5-11(6-4-10)14-8-12(15)7-13(14)16/h9-12,15H,3-8H2,1-2H3
InChIKeyMJAAZECRKOVTMZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.79
Rot. Bonds2

About 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one

4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one (PubChem CID 168701862) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
PubChem CID168701862
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
SMILESCC(C)C1CCC(N2CC(O)CC2=O)CC1
InChIInChI=1S/C13H23NO2/c1-9(2)10-3-5-11(6-4-10)14-8-12(15)7-13(14)16/h9-12,15H,3-8H2,1-2H3
InChIKeyMJAAZECRKOVTMZ-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one (CID 168701862) is 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one is CC(C)C1CCC(N2CC(O)CC2=O)CC1.
What is the InChIKey of 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
The InChIKey is MJAAZECRKOVTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)10-3-5-11(6-4-10)14-8-12(15)7-13(14)16/h9-12,15H,3-8H2,1-2H3.
What are the key properties of 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one?
4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 168701862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).