1-(3,5-dibromobenzoyl)pyrrolidin-2-one

C11H9Br2NO2 — CID 107980189

IUPAC1-(3,5-dibromobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H9Br2NO2/c12-8-4-7(5-9(13)6-8)11(16)14-3-1-2-10(14)15/h4-6H,1-3H2
InChIKeyXGPGVNIOOASOST-UHFFFAOYSA-N
MW347.01 g/mol
LogP2.97
Rot. Bonds1

About 1-(3,5-dibromobenzoyl)pyrrolidin-2-one

1-(3,5-dibromobenzoyl)pyrrolidin-2-one (PubChem CID 107980189) has the molecular formula C11H9Br2NO2 and a molecular weight of 347.01 g/mol. Its IUPAC name is 1-(3,5-dibromobenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dibromobenzoyl)pyrrolidin-2-one
PubChem CID107980189
Molecular FormulaC11H9Br2NO2
Molecular Weight347.01 g/mol
Exact Mass344.90
IUPAC Name1-(3,5-dibromobenzoyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H9Br2NO2/c12-8-4-7(5-9(13)6-8)11(16)14-3-1-2-10(14)15/h4-6H,1-3H2
InChIKeyXGPGVNIOOASOST-UHFFFAOYSA-N
XLogP2.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromobenzoyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dibromobenzoyl)pyrrolidin-2-one (CID 107980189) is 1-(3,5-dibromobenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dibromobenzoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dibromobenzoyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromobenzoyl)pyrrolidin-2-one?
The InChIKey is XGPGVNIOOASOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NO2/c12-8-4-7(5-9(13)6-8)11(16)14-3-1-2-10(14)15/h4-6H,1-3H2.
What are the key properties of 1-(3,5-dibromobenzoyl)pyrrolidin-2-one?
1-(3,5-dibromobenzoyl)pyrrolidin-2-one has a molecular weight of 347.01 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromobenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 107980189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).