3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione

C8H8ClIN2O4 — CID 174882632

IUPAC3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione
SMILESO=C1CC(Cl)C(=O)N1.O=C1CCC(=O)N1I
InChIInChI=1S/C4H4ClNO2.C4H4INO2/c5-2-1-3(7)6-4(2)8;5-6-3(7)1-2-4(6)8/h2H,1H2,(H,6,7,8);1-2H2
InChIKeySUAXYPRAEWFEIY-UHFFFAOYSA-N
MW358.52 g/mol
LogP0.13
Rot. Bonds

About 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione

3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione (PubChem CID 174882632) has the molecular formula C8H8ClIN2O4 and a molecular weight of 358.52 g/mol. Its IUPAC name is 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione
PubChem CID174882632
Molecular FormulaC8H8ClIN2O4
Molecular Weight358.52 g/mol
Exact Mass357.92
IUPAC Name3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione
SMILESO=C1CC(Cl)C(=O)N1.O=C1CCC(=O)N1I
InChIInChI=1S/C4H4ClNO2.C4H4INO2/c5-2-1-3(7)6-4(2)8;5-6-3(7)1-2-4(6)8/h2H,1H2,(H,6,7,8);1-2H2
InChIKeySUAXYPRAEWFEIY-UHFFFAOYSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-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

(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate
CID 174737043
3-chloropyrrolidine-2,5-dione;dibenzyl hydrogen phosphate
CID 174943812
3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 23170957
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
(3S)-3-(azepan-1-yl)pyrrolidine-2,5-dione
CID 98139557
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
CID 66653042
CID 66653042
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
CID 141162707

Frequently Asked Questions

What is the IUPAC name of 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione?
The IUPAC name of 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione (CID 174882632) is 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione?
The canonical SMILES for 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione is O=C1CC(Cl)C(=O)N1.O=C1CCC(=O)N1I.
What is the InChIKey of 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione?
The InChIKey is SUAXYPRAEWFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClNO2.C4H4INO2/c5-2-1-3(7)6-4(2)8;5-6-3(7)1-2-4(6)8/h2H,1H2,(H,6,7,8);1-2H2.
What are the key properties of 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione?
3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione has a molecular weight of 358.52 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione is sourced from PubChem (CID 174882632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).