methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate

C11H12BrNO2 — CID 115050329

IUPACmethyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1CNc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO2/c1-15-10(14)5-7-6-13-11-8(7)3-2-4-9(11)12/h2-4,7,13H,5-6H2,1H3
InChIKeyJYIYYENNZQVDEL-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.52
Rot. Bonds2

About methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate

methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate (PubChem CID 115050329) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
PubChem CID115050329
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namemethyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate
SMILESCOC(=O)CC1CNc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO2/c1-15-10(14)5-7-6-13-11-8(7)3-2-4-9(11)12/h2-4,7,13H,5-6H2,1H3
InChIKeyJYIYYENNZQVDEL-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-bromo-2,3-dihydro-1H-inden-1-yl)acetate
CID 131278593
7-bromo-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986374
ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
CID 155893825
methyl 2-(1,2,3,4-tetrahydroisoquinolin-4-yl)acetate
CID 91844783
methyl 2-(7-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 91828033
methyl 3-(6-bromo-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70304985
1-(3-bromo-2-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 106647229
5-bromo-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoxaline
CID 130577854
methyl 2-[(1S,3R)-3-methoxy-2,3-dihydro-1H-inden-1-yl]acetate
CID 15863455
methyl 2-[6-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 67812846
propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
(1aR,7bS)-4-bromo-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]quinoline
CID 124676964

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate (CID 115050329) is methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate is COC(=O)CC1CNc2c(Br)cccc21.
What is the InChIKey of methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate?
The InChIKey is JYIYYENNZQVDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10(14)5-7-6-13-11-8(7)3-2-4-9(11)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate?
methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate has a molecular weight of 270.13 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-2,3-dihydro-1H-indol-3-yl)acetate is sourced from PubChem (CID 115050329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).