5-bromo-2,3-dihydroisoindol-1-one

C8H6BrNO — CID 22607119

IUPAC5-bromo-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(Br)ccc21
InChIInChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChIKeyWJNKJYJCWXMBNV-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.69
Rot. Bonds

About 5-bromo-2,3-dihydroisoindol-1-one

5-bromo-2,3-dihydroisoindol-1-one (PubChem CID 22607119) has the molecular formula C8H6BrNO and a molecular weight of 212.05 g/mol. Its IUPAC name is 5-bromo-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-bromo-2,3-dihydroisoindol-1-one
PubChem CID22607119
Molecular FormulaC8H6BrNO
Molecular Weight212.05 g/mol
Exact Mass210.96
IUPAC Name5-bromo-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(Br)ccc21
InChIInChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChIKeyWJNKJYJCWXMBNV-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2,3-dihydroisoindol-1-one 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

Phthalimidine
CID 10199
5-Bromo-1,2-dihydroisoquinolin-1-one
CID 10466183
3-bromo-N-propylbenzamide
CID 3118655
N-(2-aminoethyl)-4-bromobenzamide
CID 10847785
5-Bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 44435680
n-Benzyl-4-bromobenzamide
CID 781117
4-Bromoisoindolin-1-one
CID 21907509
7-Bromo-3,4-dihydroisoquinolin-1(2H)-one
CID 25067330
4-Bromophthalimide
CID 236018
4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 4785801
4-bromo-N-[2-(1-pyrrolidinyl)ethyl]benzamide
CID 17065286
Benzamide, 3-bromo-N-allyl-
CID 2054582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-bromo-2,3-dihydroisoindol-1-one (CID 22607119) is 5-bromo-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-bromo-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-bromo-2,3-dihydroisoindol-1-one is O=C1NCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2,3-dihydroisoindol-1-one?
The InChIKey is WJNKJYJCWXMBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11).
What are the key properties of 5-bromo-2,3-dihydroisoindol-1-one?
5-bromo-2,3-dihydroisoindol-1-one has a molecular weight of 212.05 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 22607119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).