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

C12H13NO2 — CID 58828790

IUPACmethyl 2-(6-methyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C12H13NO2/c1-8-3-4-10-9(6-12(14)15-2)7-13-11(10)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyQQKKAJLJPXGMDF-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds2

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

methyl 2-(6-methyl-1H-indol-3-yl)acetate (PubChem CID 58828790) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-(6-methyl-1H-indol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methyl-1H-indol-3-yl)acetate
PubChem CID58828790
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Namemethyl 2-(6-methyl-1H-indol-3-yl)acetate
SMILESCOC(=O)Cc1c[nH]c2cc(C)ccc12
InChIInChI=1S/C12H13NO2/c1-8-3-4-10-9(6-12(14)15-2)7-13-11(10)5-8/h3-5,7,13H,6H2,1-2H3
InChIKeyQQKKAJLJPXGMDF-UHFFFAOYSA-N
XLogP2.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
CID 160800096
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
methyl 2-[5-(3,4-dimethylphenyl)-1H-indol-3-yl]acetate
CID 166042268
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
methyl 2-(2-chloro-5-methylphenyl)acetate
CID 86187737
N-[(1-hydroxycyclobutyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111444945
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941
methyl 5-[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]pentanoate
CID 111973824
methyl 2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetate
CID 71187027
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methyl-1H-indol-3-yl)acetate?
The IUPAC name of methyl 2-(6-methyl-1H-indol-3-yl)acetate (CID 58828790) is methyl 2-(6-methyl-1H-indol-3-yl)acetate.
What is the SMILES notation for methyl 2-(6-methyl-1H-indol-3-yl)acetate?
The canonical SMILES for methyl 2-(6-methyl-1H-indol-3-yl)acetate is COC(=O)Cc1c[nH]c2cc(C)ccc12.
What is the InChIKey of methyl 2-(6-methyl-1H-indol-3-yl)acetate?
The InChIKey is QQKKAJLJPXGMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-3-4-10-9(6-12(14)15-2)7-13-11(10)5-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of methyl 2-(6-methyl-1H-indol-3-yl)acetate?
methyl 2-(6-methyl-1H-indol-3-yl)acetate has a molecular weight of 203.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methyl-1H-indol-3-yl)acetate is sourced from PubChem (CID 58828790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).