ethyl 2-(1,5-dimethylindol-3-yl)acetate

C14H17NO2 — CID 84740898

IUPACethyl 2-(1,5-dimethylindol-3-yl)acetate
SMILESCCOC(=O)Cc1cn(C)c2ccc(C)cc12
InChIInChI=1S/C14H17NO2/c1-4-17-14(16)8-11-9-15(3)13-6-5-10(2)7-12(11)13/h5-7,9H,4,8H2,1-3H3
InChIKeyUWMUXZIRZWXDQY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-(1,5-dimethylindol-3-yl)acetate

ethyl 2-(1,5-dimethylindol-3-yl)acetate (PubChem CID 84740898) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 2-(1,5-dimethylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,5-dimethylindol-3-yl)acetate
PubChem CID84740898
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-(1,5-dimethylindol-3-yl)acetate
SMILESCCOC(=O)Cc1cn(C)c2ccc(C)cc12
InChIInChI=1S/C14H17NO2/c1-4-17-14(16)8-11-9-15(3)13-6-5-10(2)7-12(11)13/h5-7,9H,4,8H2,1-3H3
InChIKeyUWMUXZIRZWXDQY-UHFFFAOYSA-N
XLogP2.59
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5-dimethylindol-3-yl)ethanamine;hydrochloride
CID 18933143
1,5-dimethylindole-3-carboxamide
CID 119084556
1-(5-ethoxy-1-methylindol-3-yl)propan-2-one
CID 82495412
ethyl 3-butyl-1-methylindole-5-carboxylate
CID 21086101
3-(2-isocyanoethyl)-1,5-dimethylindole
CID 83485144
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
ethyl 3-(1,6-dimethylindol-3-yl)-3-(5-fluoro-1-methylindol-3-yl)butanoate
CID 170944053
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
2-oxoethyl 2-(1-methylindol-3-yl)acetate
CID 134405663
N-[2-(1,6-dimethylindol-3-yl)ethyl]-2-ethoxyacetamide
CID 99825750
N,1,5-trimethylindole-3-carboxamide
CID 25149961
ethyl 2-(2-hydrazinyl-4-methylphenyl)acetate
CID 134632289

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,5-dimethylindol-3-yl)acetate?
The IUPAC name of ethyl 2-(1,5-dimethylindol-3-yl)acetate (CID 84740898) is ethyl 2-(1,5-dimethylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1,5-dimethylindol-3-yl)acetate?
The canonical SMILES for ethyl 2-(1,5-dimethylindol-3-yl)acetate is CCOC(=O)Cc1cn(C)c2ccc(C)cc12.
What is the InChIKey of ethyl 2-(1,5-dimethylindol-3-yl)acetate?
The InChIKey is UWMUXZIRZWXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-17-14(16)8-11-9-15(3)13-6-5-10(2)7-12(11)13/h5-7,9H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(1,5-dimethylindol-3-yl)acetate?
ethyl 2-(1,5-dimethylindol-3-yl)acetate has a molecular weight of 231.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,5-dimethylindol-3-yl)acetate is sourced from PubChem (CID 84740898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).