2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione

C12H12INO2 — CID 10592421

IUPAC2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
SMILESC[C@@H](CI)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12INO2/c1-8(6-13)7-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyZCQLLDAEZGKLLX-QMMMGPOBSA-N
MW329.14 g/mol
LogP2.35
Rot. Bonds3

About 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione

2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione (PubChem CID 10592421) has the molecular formula C12H12INO2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
PubChem CID10592421
Molecular FormulaC12H12INO2
Molecular Weight329.14 g/mol
Exact Mass328.99
IUPAC Name2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione
SMILESC[C@@H](CI)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H12INO2/c1-8(6-13)7-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyZCQLLDAEZGKLLX-QMMMGPOBSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,3-dioxoisoindol-2-yl)-3,5-dimethylhexanal
CID 129105563
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-[(2S,3S)-2-hydroxy-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 139039322
[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl] acetate
CID 14714940
3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylpentanoic acid
CID 71583338
methane;methyl acetate;2-(2-methylpropyl)isoindole-1,3-dione
CID 159386975
2-[2-(fluoromethyl)-3,3-dimethylbutyl]isoindole-1,3-dione
CID 59667880
2-[2-(methylamino)butyl]isoindole-1,3-dione
CID 55135572
potassium 2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate
CID 74083305

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione (CID 10592421) is 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione is C[C@@H](CI)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione?
The InChIKey is ZCQLLDAEZGKLLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12INO2/c1-8(6-13)7-14-11(15)9-4-2-3-5-10(9)12(14)16/h2-5,8H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione?
2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione has a molecular weight of 329.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-iodo-2-methylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 10592421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).