methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate

C11H12BrNO2 — CID 83913602

IUPACmethyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(N)CCc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6,13H2,1H3
InChIKeyUNJTWDXKWSTRPE-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.72
Rot. Bonds1

About methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate

methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate (PubChem CID 83913602) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
PubChem CID83913602
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Namemethyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(N)CCc2c(Br)cccc21
InChIInChI=1S/C11H12BrNO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6,13H2,1H3
InChIKeyUNJTWDXKWSTRPE-UHFFFAOYSA-N
XLogP1.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate (CID 83913602) is methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate is COC(=O)C1(N)CCc2c(Br)cccc21.
What is the InChIKey of methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate?
The InChIKey is UNJTWDXKWSTRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-10(14)11(13)6-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6,13H2,1H3.
What are the key properties of methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate?
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate has a molecular weight of 270.13 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 83913602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).