6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one

C10H11BrN2O — CID 140925379

IUPAC6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one
SMILESCN(C)c1cc2c(cc1Br)C(=O)NC2
InChIInChI=1S/C10H11BrN2O/c1-13(2)9-3-6-5-12-10(14)7(6)4-8(9)11/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyKMAPFRWWBJJXNI-UHFFFAOYSA-N
MW255.11 g/mol
LogP1.76
Rot. Bonds1

About 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one

6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one (PubChem CID 140925379) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one
PubChem CID140925379
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one
SMILESCN(C)c1cc2c(cc1Br)C(=O)NC2
InChIInChI=1S/C10H11BrN2O/c1-13(2)9-3-6-5-12-10(14)7(6)4-8(9)11/h3-4H,5H2,1-2H3,(H,12,14)
InChIKeyKMAPFRWWBJJXNI-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(dimethylamino)-2,3-dihydroisoindol-1-one
CID 50941193
6-bromo-2,3-dihydroisoindol-1-one
CID 22220919
6-bromo-2,3-dihydroisoindol-1-one;cyclohexane
CID 168914120
6-fluoro-5-propan-2-yl-2,3-dihydroisoindol-1-one
CID 153301418
6-bromo-5-[(1-methylpyrazol-3-yl)methoxy]-2,3-dihydroisoindol-1-one
CID 171735607
4-bromo-6-iodo-2,3-dihydroisoindol-1-one
CID 131143347
6-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064721
2-[(6-amino-1-oxo-2,3-dihydroisoindol-5-yl)sulfanyl]-N,N-dimethylacetamide
CID 112751730
5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one
CID 89390221
6,7-dihydro-1H-pyrrolo[3,4-f]indazol-5-one
CID 175607322
6-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717751
5-amino-7-bromo-2,3-dihydroisoindol-1-one
CID 122173352

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one (CID 140925379) is 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one is CN(C)c1cc2c(cc1Br)C(=O)NC2.
What is the InChIKey of 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one?
The InChIKey is KMAPFRWWBJJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-13(2)9-3-6-5-12-10(14)7(6)4-8(9)11/h3-4H,5H2,1-2H3,(H,12,14).
What are the key properties of 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one?
6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one has a molecular weight of 255.11 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(dimethylamino)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 140925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).