2-cyclodecylisoindole-1,3-dione

C18H23NO2 — CID 123786237

IUPAC2-cyclodecylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCCCCCCC1
InChIInChI=1S/C18H23NO2/c20-17-15-12-8-9-13-16(15)18(21)19(17)14-10-6-4-2-1-3-5-7-11-14/h8-9,12-14H,1-7,10-11H2
InChIKeyYBYUJAYFGBNHGH-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.18
Rot. Bonds1

About 2-cyclodecylisoindole-1,3-dione

2-cyclodecylisoindole-1,3-dione (PubChem CID 123786237) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclodecylisoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclodecylisoindole-1,3-dione
PubChem CID123786237
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-cyclodecylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1CCCCCCCCC1
InChIInChI=1S/C18H23NO2/c20-17-15-12-8-9-13-16(15)18(21)19(17)14-10-6-4-2-1-3-5-7-11-14/h8-9,12-14H,1-7,10-11H2
InChIKeyYBYUJAYFGBNHGH-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
CID 173386618
2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
CID 1122069
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
2-cyclohexyl-5,6,7,8-tetraphenylbenzo[f]isoindole-1,3-dione
CID 132508636
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
CID 18400496
2-cyclohexylisoindole-1,3-dione;iodozinc(1+)
CID 87664820
2-cyclohexyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)isoindole-1,3-dione
CID 17360365
2-(1-ethylpiperidin-3-yl)isoindole-1,3-dione
CID 21405570

Frequently Asked Questions

What is the IUPAC name of 2-cyclodecylisoindole-1,3-dione?
The IUPAC name of 2-cyclodecylisoindole-1,3-dione (CID 123786237) is 2-cyclodecylisoindole-1,3-dione.
What is the SMILES notation for 2-cyclodecylisoindole-1,3-dione?
The canonical SMILES for 2-cyclodecylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1CCCCCCCCC1.
What is the InChIKey of 2-cyclodecylisoindole-1,3-dione?
The InChIKey is YBYUJAYFGBNHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17-15-12-8-9-13-16(15)18(21)19(17)14-10-6-4-2-1-3-5-7-11-14/h8-9,12-14H,1-7,10-11H2.
What are the key properties of 2-cyclodecylisoindole-1,3-dione?
2-cyclodecylisoindole-1,3-dione has a molecular weight of 285.39 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclodecylisoindole-1,3-dione is sourced from PubChem (CID 123786237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).