(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione

C12H19NO3 — CID 15443052

IUPAC(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(C2CCCCC2)C(=O)[C@@H]1O
InChIInChI=1S/C12H19NO3/c1-12(2)9(14)10(15)13(11(12)16)8-6-4-3-5-7-8/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyDMJWNTAJQYNCQJ-VIFPVBQESA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds1

About (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione

(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 15443052) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID15443052
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)C(=O)N(C2CCCCC2)C(=O)[C@@H]1O
InChIInChI=1S/C12H19NO3/c1-12(2)9(14)10(15)13(11(12)16)8-6-4-3-5-7-8/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyDMJWNTAJQYNCQJ-VIFPVBQESA-N
XLogP1.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.08
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 (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione (CID 15443052) is (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)C(=O)N(C2CCCCC2)C(=O)[C@@H]1O.
What is the InChIKey of (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is DMJWNTAJQYNCQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)9(14)10(15)13(11(12)16)8-6-4-3-5-7-8/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione?
(4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-4-hydroxy-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 15443052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).