3-(2-iodoanilino)pyrrolidin-2-one

C10H11IN2O — CID 130703333

IUPAC3-(2-iodoanilino)pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccccc1I
InChIInChI=1S/C10H11IN2O/c11-7-3-1-2-4-8(7)13-9-5-6-12-10(9)14/h1-4,9,13H,5-6H2,(H,12,14)
InChIKeyVOYRRZUYLBZONV-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.59
Rot. Bonds2

About 3-(2-iodoanilino)pyrrolidin-2-one

3-(2-iodoanilino)pyrrolidin-2-one (PubChem CID 130703333) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-(2-iodoanilino)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-iodoanilino)pyrrolidin-2-one
PubChem CID130703333
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Name3-(2-iodoanilino)pyrrolidin-2-one
SMILESO=C1NCCC1Nc1ccccc1I
InChIInChI=1S/C10H11IN2O/c11-7-3-1-2-4-8(7)13-9-5-6-12-10(9)14/h1-4,9,13H,5-6H2,(H,12,14)
InChIKeyVOYRRZUYLBZONV-UHFFFAOYSA-N
XLogP1.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-iodoanilino)pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodoanilino)pyrrolidin-2-one?
The IUPAC name of 3-(2-iodoanilino)pyrrolidin-2-one (CID 130703333) is 3-(2-iodoanilino)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-iodoanilino)pyrrolidin-2-one?
The canonical SMILES for 3-(2-iodoanilino)pyrrolidin-2-one is O=C1NCCC1Nc1ccccc1I.
What is the InChIKey of 3-(2-iodoanilino)pyrrolidin-2-one?
The InChIKey is VOYRRZUYLBZONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c11-7-3-1-2-4-8(7)13-9-5-6-12-10(9)14/h1-4,9,13H,5-6H2,(H,12,14).
What are the key properties of 3-(2-iodoanilino)pyrrolidin-2-one?
3-(2-iodoanilino)pyrrolidin-2-one has a molecular weight of 302.12 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoanilino)pyrrolidin-2-one is sourced from PubChem (CID 130703333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).