3-bromo-1-(4-iodophenyl)pyrrolidin-2-one

C10H9BrINO — CID 63788578

IUPAC3-bromo-1-(4-iodophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc(I)cc1
InChIInChI=1S/C10H9BrINO/c11-9-5-6-13(10(9)14)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
InChIKeyHTLPSYGCRBGYQH-UHFFFAOYSA-N
MW366.00 g/mol
LogP2.79
Rot. Bonds1

About 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one

3-bromo-1-(4-iodophenyl)pyrrolidin-2-one (PubChem CID 63788578) has the molecular formula C10H9BrINO and a molecular weight of 366.00 g/mol. Its IUPAC name is 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(4-iodophenyl)pyrrolidin-2-one
PubChem CID63788578
Molecular FormulaC10H9BrINO
Molecular Weight366.00 g/mol
Exact Mass364.89
IUPAC Name3-bromo-1-(4-iodophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1ccc(I)cc1
InChIInChI=1S/C10H9BrINO/c11-9-5-6-13(10(9)14)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
InChIKeyHTLPSYGCRBGYQH-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.00
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one (CID 63788578) is 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one is O=C1C(Br)CCN1c1ccc(I)cc1.
What is the InChIKey of 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one?
The InChIKey is HTLPSYGCRBGYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrINO/c11-9-5-6-13(10(9)14)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2.
What are the key properties of 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one?
3-bromo-1-(4-iodophenyl)pyrrolidin-2-one has a molecular weight of 366.00 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 63788578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).