methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate

C12H15NO2 — CID 134405471

IUPACmethyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate
SMILESCOC(=O)Cn1cc(C)c2c1C=CCC2
InChIInChI=1S/C12H15NO2/c1-9-7-13(8-12(14)15-2)11-6-4-3-5-10(9)11/h4,6-7H,3,5,8H2,1-2H3
InChIKeyAFIXAFJQMOJONH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate

methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate (PubChem CID 134405471) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate
PubChem CID134405471
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate
SMILESCOC(=O)Cn1cc(C)c2c1C=CCC2
InChIInChI=1S/C12H15NO2/c1-9-7-13(8-12(14)15-2)11-6-4-3-5-10(9)11/h4,6-7H,3,5,8H2,1-2H3
InChIKeyAFIXAFJQMOJONH-UHFFFAOYSA-N
XLogP1.93
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate (CID 134405471) is methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate is COC(=O)Cn1cc(C)c2c1C=CCC2.
What is the InChIKey of methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate?
The InChIKey is AFIXAFJQMOJONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-7-13(8-12(14)15-2)11-6-4-3-5-10(9)11/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate?
methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate has a molecular weight of 205.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-4,5-dihydroindol-1-yl)acetate is sourced from PubChem (CID 134405471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).