6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one

C11H12BrNO2 — CID 102538194

IUPAC6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C11H12BrNO2/c1-15-5-4-13-7-8-2-3-9(12)6-10(8)11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyJKGRFGKXVXZHAM-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.05
Rot. Bonds3

About 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one

6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one (PubChem CID 102538194) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
PubChem CID102538194
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2ccc(Br)cc2C1=O
InChIInChI=1S/C11H12BrNO2/c1-15-5-4-13-7-8-2-3-9(12)6-10(8)11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyJKGRFGKXVXZHAM-UHFFFAOYSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 59276302
5-methoxy-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 22594208
5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 91664637
6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one
CID 103183081
5-bromo-2-(2-methoxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 47155920
6-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3H-isoindol-1-one
CID 112591350
ethyl 3-(6-bromo-3-oxo-1H-isoindol-2-yl)propanoate
CID 67307314
7-bromo-1-(2-methoxyethyl)-4-methyl-3H-quinoxalin-2-one
CID 117006379
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
2-(iodomethyl)-6-methoxy-3H-isoindol-1-one
CID 70233754
4-bromo-2-methyl-3H-isoindol-1-one;6-bromo-2-methyl-3H-isoindol-1-one;ethane
CID 142597111
5-bromo-6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one
CID 170050760

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
The IUPAC name of 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one (CID 102538194) is 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
The canonical SMILES for 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one is COCCN1Cc2ccc(Br)cc2C1=O.
What is the InChIKey of 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
The InChIKey is JKGRFGKXVXZHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-5-4-13-7-8-2-3-9(12)6-10(8)11(13)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one has a molecular weight of 270.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one is sourced from PubChem (CID 102538194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).