2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione

C8H8INO2 — CID 139571306

IUPAC2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1I
InChIInChI=1S/C8H8INO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H2
InChIKeyGXQSHUCVPVVBHC-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.58
Rot. Bonds

About 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione

2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 139571306) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID139571306
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1C2=C(CCCC2)C(=O)N1I
InChIInChI=1S/C8H8INO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H2
InChIKeyGXQSHUCVPVVBHC-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Tetrahydrophthalimide
CID 34024
N-(Hydroxymethyl)-3,4,5,6-tetrahydrophthalimide
CID 78597
N-trichloromethylthio-cyclohexene-1,2-dicarboximide
CID 19849525
1-Cyclohexene-1,2-dicarboximide, N-methyl-
CID 34357
4,5,6,7-Tetrahydro-2-hydroxy-1H-isoindole-1,3(2H)-dione
CID 13315034
2-methyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 12394664
2-Hexyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 101571755
2-(Dimethylamino)-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 121215715
N-acryl-3,4,5,6-tetrahydrophthalimide
CID 129669529
2-Butyl-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 610044
2-Tert-butyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 16476065
2-Propyl-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 18330956

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 139571306) is 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1C2=C(CCCC2)C(=O)N1I.
What is the InChIKey of 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is GXQSHUCVPVVBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H2.
What are the key properties of 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 277.06 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 139571306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).