3-amino-1-iodopyrrolidine-2,5-dione

C4H5IN2O2 — CID 148810679

IUPAC3-amino-1-iodopyrrolidine-2,5-dione
SMILESNC1CC(=O)N(I)C1=O
InChIInChI=1S/C4H5IN2O2/c5-7-3(8)1-2(6)4(7)9/h2H,1,6H2
InChIKeyOPVQOQLSRJNAFW-UHFFFAOYSA-N
MW240.00 g/mol
LogP-0.58
Rot. Bonds

About 3-amino-1-iodopyrrolidine-2,5-dione

3-amino-1-iodopyrrolidine-2,5-dione (PubChem CID 148810679) has the molecular formula C4H5IN2O2 and a molecular weight of 240.00 g/mol. Its IUPAC name is 3-amino-1-iodopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-amino-1-iodopyrrolidine-2,5-dione
PubChem CID148810679
Molecular FormulaC4H5IN2O2
Molecular Weight240.00 g/mol
Exact Mass239.94
IUPAC Name3-amino-1-iodopyrrolidine-2,5-dione
SMILESNC1CC(=O)N(I)C1=O
InChIInChI=1S/C4H5IN2O2/c5-7-3(8)1-2(6)4(7)9/h2H,1,6H2
InChIKeyOPVQOQLSRJNAFW-UHFFFAOYSA-N
XLogP-0.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.00
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-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

1-iodo-3-sulfanylpyrrolidine-2,5-dione
CID 130374102
(3S)-3-amino-2,3,6,7,8,9-hexahydropyridazino[1,2-a]pyridazine-1,4-dione
CID 70537330
3-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-methylbutanal
CID 138531855
(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
CID 143987049
CID 174110569
CID 174110569
(3S)-3-amino-1-(2-morpholin-4-ylethyl)pyrrolidine-2,5-dione
CID 39220953
N-(1-acetamidoethyl)-2-(3-amino-2,5-dioxopyrrolidin-1-yl)propanamide
CID 88930272
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
3-amino-1-(2-oxopropyl)piperidin-2-one
CID 71595862
4-[[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]methyl]benzoic acid
CID 59737379
5-(3-amino-2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoic acid
CID 87573492
(3R)-3-amino-1-tert-butylazetidin-2-one
CID 175542547

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-iodopyrrolidine-2,5-dione?
The IUPAC name of 3-amino-1-iodopyrrolidine-2,5-dione (CID 148810679) is 3-amino-1-iodopyrrolidine-2,5-dione.
What is the SMILES notation for 3-amino-1-iodopyrrolidine-2,5-dione?
The canonical SMILES for 3-amino-1-iodopyrrolidine-2,5-dione is NC1CC(=O)N(I)C1=O.
What is the InChIKey of 3-amino-1-iodopyrrolidine-2,5-dione?
The InChIKey is OPVQOQLSRJNAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O2/c5-7-3(8)1-2(6)4(7)9/h2H,1,6H2.
What are the key properties of 3-amino-1-iodopyrrolidine-2,5-dione?
3-amino-1-iodopyrrolidine-2,5-dione has a molecular weight of 240.00 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-iodopyrrolidine-2,5-dione is sourced from PubChem (CID 148810679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).