1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione

C12H19NO3 — CID 65297575

IUPAC1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(C2CCCCC2O)C1=O
InChIInChI=1S/C12H19NO3/c1-12(2)7-10(15)13(11(12)16)8-5-3-4-6-9(8)14/h8-9,14H,3-7H2,1-2H3
InChIKeyLTHXMWDCEVFQPO-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.08
Rot. Bonds1

About 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione

1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65297575) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65297575
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(C2CCCCC2O)C1=O
InChIInChI=1S/C12H19NO3/c1-12(2)7-10(15)13(11(12)16)8-5-3-4-6-9(8)14/h8-9,14H,3-7H2,1-2H3
InChIKeyLTHXMWDCEVFQPO-UHFFFAOYSA-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 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 65297575) is 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(C2CCCCC2O)C1=O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is LTHXMWDCEVFQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)7-10(15)13(11(12)16)8-5-3-4-6-9(8)14/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(2-hydroxycyclohexyl)-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 1-(2-hydroxycyclohexyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65297575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).