2-(2-methylidenecyclohexyl)isoindole-1,3-dione

C15H15NO2 — CID 86708961

IUPAC2-(2-methylidenecyclohexyl)isoindole-1,3-dione
SMILESC=C1CCCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H15NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h3-4,7-8,13H,1-2,5-6,9H2
InChIKeyOZZWRQIJFZZBJZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.78
Rot. Bonds1

About 2-(2-methylidenecyclohexyl)isoindole-1,3-dione

2-(2-methylidenecyclohexyl)isoindole-1,3-dione (PubChem CID 86708961) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(2-methylidenecyclohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-methylidenecyclohexyl)isoindole-1,3-dione
PubChem CID86708961
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(2-methylidenecyclohexyl)isoindole-1,3-dione
SMILESC=C1CCCCC1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H15NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h3-4,7-8,13H,1-2,5-6,9H2
InChIKeyOZZWRQIJFZZBJZ-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-(6-methylidene-2-sulfanylidenepiperidin-3-yl)isoindole-1,3-dione
CID 88912228
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
3-methylidene-2-(4-oxocyclohexyl)isoindol-1-one
CID 79672188
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenecyclohexyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-methylidenecyclohexyl)isoindole-1,3-dione (CID 86708961) is 2-(2-methylidenecyclohexyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-methylidenecyclohexyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-methylidenecyclohexyl)isoindole-1,3-dione is C=C1CCCCC1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(2-methylidenecyclohexyl)isoindole-1,3-dione?
The InChIKey is OZZWRQIJFZZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h3-4,7-8,13H,1-2,5-6,9H2.
What are the key properties of 2-(2-methylidenecyclohexyl)isoindole-1,3-dione?
2-(2-methylidenecyclohexyl)isoindole-1,3-dione has a molecular weight of 241.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenecyclohexyl)isoindole-1,3-dione is sourced from PubChem (CID 86708961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).