2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione

C15H15NO2 — CID 11906128

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H15NO2/c17-14-11-3-1-2-4-12(11)15(18)16(14)13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2/t9-,10+,13-/m0/s1
InChIKeyNTGHOUCYJCXRFM-CWSCBRNRSA-N
MW241.29 g/mol
LogP2.47
Rot. Bonds1

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione

2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione (PubChem CID 11906128) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
PubChem CID11906128
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C15H15NO2/c17-14-11-3-1-2-4-12(11)15(18)16(14)13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2/t9-,10+,13-/m0/s1
InChIKeyNTGHOUCYJCXRFM-CWSCBRNRSA-N
XLogP2.47
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 ≤ 52.47
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-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 1296952
2-[(1S,3S,4R,6R,8S)-4-tricyclo[4.3.1.03,8]decanyl]isoindole-1,3-dione
CID 57333815
2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)isoindole-1,3-dione
CID 175743610
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-[(1R,2R,6S)-2-bicyclo[4.1.0]heptanyl]isoindole-1,3-dione
CID 102049318
(5Z)-5-benzylidene-3-(2-bicyclo[2.2.1]heptanyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 89491435
2-(3-azatricyclo[3.2.1.02,4]octan-3-yl)isoindole-1,3-dione
CID 86135324
(1R,2R,6R,7R)-4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 124776064
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]isoindole-1,3-dione
CID 18645244
2-[(1R,2R,3R,5R)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]isoindole-1,3-dione
CID 134465551
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-methylphenyl)phenyl]piperidine
CID 58772170

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione (CID 11906128) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione?
The InChIKey is NTGHOUCYJCXRFM-CWSCBRNRSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-11-3-1-2-4-12(11)15(18)16(14)13-8-9-5-6-10(13)7-9/h1-4,9-10,13H,5-8H2/t9-,10+,13-/m0/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione has a molecular weight of 241.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione is sourced from PubChem (CID 11906128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).