1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H23NO3 — CID 62360184

IUPAC1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(C2CCCCC2O)C1=O
InChIInChI=1S/C14H23NO3/c1-9(2)14(3)8-12(17)15(13(14)18)10-6-4-5-7-11(10)16/h9-11,16H,4-8H2,1-3H3
InChIKeyCXNFAUHWTDYZET-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.71
Rot. Bonds2

About 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 62360184) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID62360184
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(C2CCCCC2O)C1=O
InChIInChI=1S/C14H23NO3/c1-9(2)14(3)8-12(17)15(13(14)18)10-6-4-5-7-11(10)16/h9-11,16H,4-8H2,1-3H3
InChIKeyCXNFAUHWTDYZET-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 62360184) is 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(C2CCCCC2O)C1=O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is CXNFAUHWTDYZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)14(3)8-12(17)15(13(14)18)10-6-4-5-7-11(10)16/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 62360184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).