3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one

C10H8BrCl2NO — CID 63787709

IUPAC3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8BrCl2NO/c11-6-4-5-14(10(6)15)8-3-1-2-7(12)9(8)13/h1-3,6H,4-5H2
InChIKeyGSXSZTCOMPIQKE-UHFFFAOYSA-N
MW308.99 g/mol
LogP3.49
Rot. Bonds1

About 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one

3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one (PubChem CID 63787709) has the molecular formula C10H8BrCl2NO and a molecular weight of 308.99 g/mol. Its IUPAC name is 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one
PubChem CID63787709
Molecular FormulaC10H8BrCl2NO
Molecular Weight308.99 g/mol
Exact Mass306.92
IUPAC Name3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1C(Br)CCN1c1cccc(Cl)c1Cl
InChIInChI=1S/C10H8BrCl2NO/c11-6-4-5-14(10(6)15)8-3-1-2-7(12)9(8)13/h1-3,6H,4-5H2
InChIKeyGSXSZTCOMPIQKE-UHFFFAOYSA-N
XLogP3.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.99
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one (CID 63787709) is 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one is O=C1C(Br)CCN1c1cccc(Cl)c1Cl.
What is the InChIKey of 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is GSXSZTCOMPIQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2NO/c11-6-4-5-14(10(6)15)8-3-1-2-7(12)9(8)13/h1-3,6H,4-5H2.
What are the key properties of 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one?
3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 308.99 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 63787709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).