2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C15H23NO3 — CID 139838722

IUPAC2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1CCCC2C(=O)N(C3CCC(O)CC3)C(=O)C12
InChIInChI=1S/C15H23NO3/c1-9-3-2-4-12-13(9)15(19)16(14(12)18)10-5-7-11(17)8-6-10/h9-13,17H,2-8H2,1H3
InChIKeyVUOBYBQKAASTLF-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.71
Rot. Bonds1

About 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 139838722) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID139838722
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1CCCC2C(=O)N(C3CCC(O)CC3)C(=O)C12
InChIInChI=1S/C15H23NO3/c1-9-3-2-4-12-13(9)15(19)16(14(12)18)10-5-7-11(17)8-6-10/h9-13,17H,2-8H2,1H3
InChIKeyVUOBYBQKAASTLF-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
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 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 139838722) is 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CC1CCCC2C(=O)N(C3CCC(O)CC3)C(=O)C12.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is VUOBYBQKAASTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-3-2-4-12-13(9)15(19)16(14(12)18)10-5-7-11(17)8-6-10/h9-13,17H,2-8H2,1H3.
What are the key properties of 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 265.35 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 139838722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).