ethyl 2H-indole-3-carboxylate

C11H11NO2 — CID 95180340

IUPACethyl 2H-indole-3-carboxylate
SMILESCCOC(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKeyKBDBVTRKGRAUQM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.03
Rot. Bonds2

About ethyl 2H-indole-3-carboxylate

ethyl 2H-indole-3-carboxylate (PubChem CID 95180340) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is ethyl 2H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2H-indole-3-carboxylate
PubChem CID95180340
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Nameethyl 2H-indole-3-carboxylate
SMILESCCOC(=O)C1=c2ccccc2=NC1
InChIInChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKeyKBDBVTRKGRAUQM-UHFFFAOYSA-N
XLogP0.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoro-2H-indole-5-carboxylate
CID 150743225
ethyl (2R)-4-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478386
ethyl (2S)-4-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478387
ethyl (2R)-6-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478388
ethyl (2S)-6-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478389
ethyl (2R)-5-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478390
ethyl (2S)-5-fluoro-2-methyl-2H-indole-3-carboxylate
CID 93478391
ethyl (2R)-4,5-difluoro-2-methyl-2H-indole-3-carboxylate
CID 93478392
ethyl (2S)-4,5-difluoro-2-methyl-2H-indole-3-carboxylate
CID 93478393
ethyl 5-methyl-2H-pyrrole-3-carboxylate
CID 58158190
Methyl 4-(3-methoxy-3-oxopropyl)iminocyclohexa-1,5-diene-1-carboxylate
CID 67807430
Prop-2-enyl 4-methyliminocyclohexa-1,5-diene-1-carboxylate
CID 70456587

Frequently Asked Questions

What is the IUPAC name of ethyl 2H-indole-3-carboxylate?
The IUPAC name of ethyl 2H-indole-3-carboxylate (CID 95180340) is ethyl 2H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2H-indole-3-carboxylate?
The canonical SMILES for ethyl 2H-indole-3-carboxylate is CCOC(=O)C1=c2ccccc2=NC1.
What is the InChIKey of ethyl 2H-indole-3-carboxylate?
The InChIKey is KBDBVTRKGRAUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2H-indole-3-carboxylate?
ethyl 2H-indole-3-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2H-indole-3-carboxylate is sourced from PubChem (CID 95180340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).