3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium

C7H8Cl3I3NO2SV — CID 159585170

IUPAC3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium
SMILESCC1C(=O)N(SC(Cl)(Cl)Cl)C(=O)C1C.I[V](I)I
InChIInChI=1S/C7H8Cl3NO2S.3HI.V/c1-3-4(2)6(13)11(5(3)12)14-7(8,9)10;;;;/h3-4H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyMJNGUFXLYNFECH-UHFFFAOYSA-K
MW708.23 g/mol
LogP5.26
Rot. Bonds1

About 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium

3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium (PubChem CID 159585170) has the molecular formula C7H8Cl3I3NO2SV and a molecular weight of 708.23 g/mol. Its IUPAC name is 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium.

Molecular Properties

Compound Name3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium
PubChem CID159585170
Molecular FormulaC7H8Cl3I3NO2SV
Molecular Weight708.23 g/mol
Exact Mass706.59
IUPAC Name3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium
SMILESCC1C(=O)N(SC(Cl)(Cl)Cl)C(=O)C1C.I[V](I)I
InChIInChI=1S/C7H8Cl3NO2S.3HI.V/c1-3-4(2)6(13)11(5(3)12)14-7(8,9)10;;;;/h3-4H,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyMJNGUFXLYNFECH-UHFFFAOYSA-K
XLogP5.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.23
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-(trichloromethylsulfanyl)-1,3-thiazolidine-2,4-dione
CID 163729962
1-(1-methoxyethyl)-5-methyl-3-(trichloromethylsulfanyl)imidazolidine-2,4-dione
CID 23311298
2-(trichloromethylsulfanyl)-3a,4,5,6-tetrahydroisoindole-1,3-dione
CID 56605855
(3S,4R)-1,3,4-trimethylazetidin-2-one
CID 59947134
(3R,4S)-1-(2-aminoethyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 166506249
3,4-dimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 22957000
2-tert-butylsulfanyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 154283995
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
1-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79180583
(3aS,7aR)-2-(trifluoromethylsulfanyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 162402654
1-(2-amino-2-ethylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103501096
naphthalene;2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 87816158

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium?
The IUPAC name of 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium (CID 159585170) is 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium.
What is the SMILES notation for 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium?
The canonical SMILES for 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium is CC1C(=O)N(SC(Cl)(Cl)Cl)C(=O)C1C.I[V](I)I.
What is the InChIKey of 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium?
The InChIKey is MJNGUFXLYNFECH-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H8Cl3NO2S.3HI.V/c1-3-4(2)6(13)11(5(3)12)14-7(8,9)10;;;;/h3-4H,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium?
3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium has a molecular weight of 708.23 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(trichloromethylsulfanyl)pyrrolidine-2,5-dione;triiodovanadium is sourced from PubChem (CID 159585170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).