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

C15H23NO3 — CID 139838723

IUPAC2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1CCC2C(=O)N(C3CCC(O)CC3)C(=O)C2C1
InChIInChI=1S/C15H23NO3/c1-9-2-7-12-13(8-9)15(19)16(14(12)18)10-3-5-11(17)6-4-10/h9-13,17H,2-8H2,1H3
InChIKeyUMUHCTPKAXHPOV-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.71
Rot. Bonds1

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

2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 139838723) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID139838723
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESCC1CCC2C(=O)N(C3CCC(O)CC3)C(=O)C2C1
InChIInChI=1S/C15H23NO3/c1-9-2-7-12-13(8-9)15(19)16(14(12)18)10-3-5-11(17)6-4-10/h9-13,17H,2-8H2,1H3
InChIKeyUMUHCTPKAXHPOV-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'}

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

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Related Compounds

2-(2-Hydroxycyclohexyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 60714640
2-(4-Hydroxycyclohexyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 61208686
3-hydroxy-2,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 91223094
1-hydroxy-2-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f]isoindol-3-one
CID 91502133
2-(3-Hydroxypropyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838715
2-(2-Hydroxycyclopentyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838718
2-(1-Hydroxypropan-2-yl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838720
2-(4-Hydroxycyclohexyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838722
2-(2-Hydroxypropyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838725
2-(2-Hydroxycyclopentyl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838727
2-(1-Hydroxypropan-2-yl)-4-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 139838729
N-acetyl-N-[4-[4-(5,6-dimethyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)cyclohexyl]oxycyclohexyl]acetamide
CID 140414809

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 139838723) is 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is CC1CCC2C(=O)N(C3CCC(O)CC3)C(=O)C2C1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is UMUHCTPKAXHPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-2-7-12-13(8-9)15(19)16(14(12)18)10-3-5-11(17)6-4-10/h9-13,17H,2-8H2,1H3.
What are the key properties of 2-(4-hydroxycyclohexyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-(4-hydroxycyclohexyl)-5-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)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 139838723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).