ethyl 1,7-dimethylindole-5-carboxylate

C13H15NO2 — CID 137376085

IUPACethyl 1,7-dimethylindole-5-carboxylate
SMILESCCOC(=O)c1cc(C)c2c(ccn2C)c1
InChIInChI=1S/C13H15NO2/c1-4-16-13(15)11-7-9(2)12-10(8-11)5-6-14(12)3/h5-8H,4H2,1-3H3
InChIKeySMQYBAMMMMGKCP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.66
Rot. Bonds2

About ethyl 1,7-dimethylindole-5-carboxylate

ethyl 1,7-dimethylindole-5-carboxylate (PubChem CID 137376085) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is ethyl 1,7-dimethylindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1,7-dimethylindole-5-carboxylate
PubChem CID137376085
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Nameethyl 1,7-dimethylindole-5-carboxylate
SMILESCCOC(=O)c1cc(C)c2c(ccn2C)c1
InChIInChI=1S/C13H15NO2/c1-4-16-13(15)11-7-9(2)12-10(8-11)5-6-14(12)3/h5-8H,4H2,1-3H3
InChIKeySMQYBAMMMMGKCP-UHFFFAOYSA-N
XLogP2.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,6,8-trimethyl-1-oxoisoquinoline-7-carboxylate
CID 10978168
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
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1-(2-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83945940
diethyl benzene-1,3-dicarboxylate
CID 12491
4-ethoxycarbonyl-2-methylbenzenecarbothioic S-acid
CID 87277045
(4-ethoxycarbonyl-2-methylphenyl)boronic acid
CID 74889503
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 8-methyl-2-phenylquinoline-6-carboxylate
CID 164676553
ethyl 8-hydroxyisoquinoline-6-carboxylate
CID 137117771
diethyl 7-methylnaphthalene-1,3-dicarboxylate
CID 11323625
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998

Frequently Asked Questions

What is the IUPAC name of ethyl 1,7-dimethylindole-5-carboxylate?
The IUPAC name of ethyl 1,7-dimethylindole-5-carboxylate (CID 137376085) is ethyl 1,7-dimethylindole-5-carboxylate.
What is the SMILES notation for ethyl 1,7-dimethylindole-5-carboxylate?
The canonical SMILES for ethyl 1,7-dimethylindole-5-carboxylate is CCOC(=O)c1cc(C)c2c(ccn2C)c1.
What is the InChIKey of ethyl 1,7-dimethylindole-5-carboxylate?
The InChIKey is SMQYBAMMMMGKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-16-13(15)11-7-9(2)12-10(8-11)5-6-14(12)3/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 1,7-dimethylindole-5-carboxylate?
ethyl 1,7-dimethylindole-5-carboxylate has a molecular weight of 217.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,7-dimethylindole-5-carboxylate is sourced from PubChem (CID 137376085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).