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

C11H12BrNO2 — CID 59276302

IUPAC5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C11H12BrNO2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyRJXDERLTXVXSNZ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.05
Rot. Bonds3

About 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one

5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one (PubChem CID 59276302) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
PubChem CID59276302
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
SMILESCOCCN1Cc2cc(Br)ccc2C1=O
InChIInChI=1S/C11H12BrNO2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7H2,1H3
InChIKeyRJXDERLTXVXSNZ-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

4-Bromoisoindolin-1-one
CID 21907509
4-Bromophthalimide
CID 236018
4-(4-Bromobenzoyl)morpholine
CID 532148
(3-Bromobenzoyl)pyrrolidine
CID 766188
4-Bromo-N-methylphthalimide
CID 790105
Poly(oxy-1,2-ethanediyl), alpha-[2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]-omega-methoxy-
CID 51354110
(4-Bromophenyl)(pyrrolidin-1-yl)methanone
CID 819718
4-(3-Bromobenzoyl)morpholine
CID 531993
5-Bromo-2-(morpholinomethyl)isoindoline-1,3-dione
CID 739704
5-bromo-2,3-dihydro-1H-isoindol-1-one
CID 22607119
2-(2-Bromobenzyl)isoindoline-1,3-dione
CID 334063
3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl acetate
CID 1637582

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
The IUPAC name of 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one (CID 59276302) is 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
The canonical SMILES for 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one is COCCN1Cc2cc(Br)ccc2C1=O.
What is the InChIKey of 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
The InChIKey is RJXDERLTXVXSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-5-4-13-7-8-6-9(12)2-3-10(8)11(13)14/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one?
5-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 5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one is sourced from PubChem (CID 59276302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).