methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate

C12H14BrNO2 — CID 117193354

IUPACmethyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
SMILESCCC1(C(=O)OC)Cc2ccc(Br)cc2N1
InChIInChI=1S/C12H14BrNO2/c1-3-12(11(15)16-2)7-8-4-5-9(13)6-10(8)14-12/h4-6,14H,3,7H2,1-2H3
InChIKeyNODMBESMHBLFRF-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.74
Rot. Bonds2

About methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate

methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate (PubChem CID 117193354) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
PubChem CID117193354
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Namemethyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate
SMILESCCC1(C(=O)OC)Cc2ccc(Br)cc2N1
InChIInChI=1S/C12H14BrNO2/c1-3-12(11(15)16-2)7-8-4-5-9(13)6-10(8)14-12/h4-6,14H,3,7H2,1-2H3
InChIKeyNODMBESMHBLFRF-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate (CID 117193354) is methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate is CCC1(C(=O)OC)Cc2ccc(Br)cc2N1.
What is the InChIKey of methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
The InChIKey is NODMBESMHBLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-3-12(11(15)16-2)7-8-4-5-9(13)6-10(8)14-12/h4-6,14H,3,7H2,1-2H3.
What are the key properties of methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate?
methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate has a molecular weight of 284.15 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2-ethyl-1,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 117193354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).