tert-butyl 2-(5,7-dimethylindol-1-yl)acetate

C16H21NO2 — CID 70291358

IUPACtert-butyl 2-(5,7-dimethylindol-1-yl)acetate
SMILESCc1cc(C)c2c(ccn2CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H21NO2/c1-11-8-12(2)15-13(9-11)6-7-17(15)10-14(18)19-16(3,4)5/h6-9H,10H2,1-5H3
InChIKeyVYPYVHGBRPXVCE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl 2-(5,7-dimethylindol-1-yl)acetate

tert-butyl 2-(5,7-dimethylindol-1-yl)acetate (PubChem CID 70291358) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 2-(5,7-dimethylindol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5,7-dimethylindol-1-yl)acetate
PubChem CID70291358
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nametert-butyl 2-(5,7-dimethylindol-1-yl)acetate
SMILESCc1cc(C)c2c(ccn2CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H21NO2/c1-11-8-12(2)15-13(9-11)6-7-17(15)10-14(18)19-16(3,4)5/h6-9H,10H2,1-5H3
InChIKeyVYPYVHGBRPXVCE-UHFFFAOYSA-N
XLogP3.60
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 2802880
benzyl 5,7-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-2-carboxylate
CID 22612542
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
4-(5,7-dimethylindol-1-yl)butan-1-amine
CID 83968682
tert-butyl 2-pyrrolo[3,2-b]pyridin-1-ylacetate
CID 135080166
tert-butyl 2-(2-bromoimidazol-1-yl)acetate
CID 155977843
tert-butyl 2-(5-piperazin-1-ylindol-1-yl)acetate
CID 174621910
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687
tert-butyl 2-(3-methyl-2-oxoimidazol-1-yl)acetate
CID 68705869
tert-butyl 5-methoxy-7-methylindole-1-carboxylate
CID 100913508
tert-butyl 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylacetate
CID 116687390
tert-butyl 2-(6-bromopyrrolo[3,2-b]pyridin-1-yl)acetate
CID 138986127

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5,7-dimethylindol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(5,7-dimethylindol-1-yl)acetate (CID 70291358) is tert-butyl 2-(5,7-dimethylindol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5,7-dimethylindol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(5,7-dimethylindol-1-yl)acetate is Cc1cc(C)c2c(ccn2CC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-(5,7-dimethylindol-1-yl)acetate?
The InChIKey is VYPYVHGBRPXVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-8-12(2)15-13(9-11)6-7-17(15)10-14(18)19-16(3,4)5/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl 2-(5,7-dimethylindol-1-yl)acetate?
tert-butyl 2-(5,7-dimethylindol-1-yl)acetate has a molecular weight of 259.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5,7-dimethylindol-1-yl)acetate is sourced from PubChem (CID 70291358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).