1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione

C12H12INO2 — CID 103500279

IUPAC1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cccc(I)c2)C(=O)C1C
InChIInChI=1S/C12H12INO2/c1-7-8(2)12(16)14(11(7)15)10-5-3-4-9(13)6-10/h3-8H,1-2H3
InChIKeyAHRALQWLRMEMRP-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.44
Rot. Bonds1

About 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione

1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 103500279) has the molecular formula C12H12INO2 and a molecular weight of 329.14 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID103500279
Molecular FormulaC12H12INO2
Molecular Weight329.14 g/mol
Exact Mass328.99
IUPAC Name1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(c2cccc(I)c2)C(=O)C1C
InChIInChI=1S/C12H12INO2/c1-7-8(2)12(16)14(11(7)15)10-5-3-4-9(13)6-10/h3-8H,1-2H3
InChIKeyAHRALQWLRMEMRP-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,6S,7R)-4-(3-iodophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 98081428
(1S,2R,6S,7S)-4-(3-iodophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98081422
(1R,2R,6S,7R)-4-(3-iodophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98201447
4-(3-iodophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 2913325
2-(3-iodophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430521
[(3S,4S)-4-benzoyloxy-1-(3-iodophenyl)-2,5-dioxopyrrolidin-3-yl] benzoate
CID 126301093
2-[3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenoxy]acetic acid
CID 103499601
(15S,19S)-17-(3-iodophenyl)-1-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1318107
3-bromo-1-(3-iodophenyl)pyrrolidin-2-one
CID 63788398
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500329
1-(3-fluoro-4-hydroxyphenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103500910
2-[1-(3-iodophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetic acid
CID 43860528

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione (CID 103500279) is 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(c2cccc(I)c2)C(=O)C1C.
What is the InChIKey of 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is AHRALQWLRMEMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO2/c1-7-8(2)12(16)14(11(7)15)10-5-3-4-9(13)6-10/h3-8H,1-2H3.
What are the key properties of 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 329.14 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 103500279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).