2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione

C18H19NO2 — CID 57333815

IUPAC2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3
InChIInChI=1S/C18H19NO2/c20-17-13-3-1-2-4-14(13)18(21)19(17)16-9-11-5-10-6-12(7-11)15(16)8-10/h1-4,10-12,15-16H,5-9H2/t10-,11+,12-,15-,16+/m0/s1
InChIKeyWJROADGTVUIBMF-WORXLNIRSA-N
MW281.35 g/mol
LogP3.11
Rot. Bonds1

About 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione

2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione (PubChem CID 57333815) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione
PubChem CID57333815
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC Name2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3
InChIInChI=1S/C18H19NO2/c20-17-13-3-1-2-4-14(13)18(21)19(17)16-9-11-5-10-6-12(7-11)15(16)8-10/h1-4,10-12,15-16H,5-9H2/t10-,11+,12-,15-,16+/m0/s1
InChIKeyWJROADGTVUIBMF-WORXLNIRSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.11
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-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
CID 175743610
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 11906128
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 1296952
2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 134465551
2-[(1R,2R,6S)-2-bicyclo[4.1.0]heptanyl]isoindole-1,3-dione
CID 102049318
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
2-[(1S)-1-(2-adamantyl)-2,2-dihydroxyethyl]isoindole-1,3-dione
CID 138979702
(1,3-dioxoisoindol-2-yl) adamantane-2-carboxylate
CID 148996664
2-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]isoindole-1,3-dione
CID 155143259
2-(3-azatricyclo[3.2.1.02,4]octan-3-yl)isoindole-1,3-dione
CID 86135324
2-[(1S,4R,6R)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-yl]isoindole-1,3-dione
CID 58078531

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione (CID 57333815) is 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1C[C@@H]2C[C@H]3C[C@@H](C2)[C@@H]1C3.
What is the InChIKey of 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione?
The InChIKey is WJROADGTVUIBMF-WORXLNIRSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17-13-3-1-2-4-14(13)18(21)19(17)16-9-11-5-10-6-12(7-11)15(16)8-10/h1-4,10-12,15-16H,5-9H2/t10-,11+,12-,15-,16+/m0/s1.
What are the key properties of 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione?
2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione has a molecular weight of 281.35 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione is sourced from PubChem (CID 57333815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).