methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate

C11H12BrNO2 — CID 131512572

IUPACmethyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate
SMILESCOC(=O)CC1Cc2ccc(Br)cc2N1
InChIInChI=1S/C11H12BrNO2/c1-15-11(14)6-9-4-7-2-3-8(12)5-10(7)13-9/h2-3,5,9,13H,4,6H2,1H3
InChIKeyGWIBHVKNWNFYJJ-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.35
Rot. Bonds2

About methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate

methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate (PubChem CID 131512572) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate
PubChem CID131512572
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namemethyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate
SMILESCOC(=O)CC1Cc2ccc(Br)cc2N1
InChIInChI=1S/C11H12BrNO2/c1-15-11(14)6-9-4-7-2-3-8(12)5-10(7)13-9/h2-3,5,9,13H,4,6H2,1H3
InChIKeyGWIBHVKNWNFYJJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate?
The IUPAC name of methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate (CID 131512572) is methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate?
The canonical SMILES for methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate is COC(=O)CC1Cc2ccc(Br)cc2N1.
What is the InChIKey of methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate?
The InChIKey is GWIBHVKNWNFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-11(14)6-9-4-7-2-3-8(12)5-10(7)13-9/h2-3,5,9,13H,4,6H2,1H3.
What are the key properties of methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate?
methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate has a molecular weight of 270.13 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-2,3-dihydro-1H-indol-2-yl)acetate is sourced from PubChem (CID 131512572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).