ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate

C11H13NO3 — CID 14265907

IUPACethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CC(O)c2ccccc21
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)12-7-10(13)8-5-3-4-6-9(8)12/h3-6,10,13H,2,7H2,1H3
InChIKeyYKPFBGYSLYSGCP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.70
Rot. Bonds1

About ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate

ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate (PubChem CID 14265907) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate
PubChem CID14265907
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate
SMILESCCOC(=O)N1CC(O)c2ccccc21
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)12-7-10(13)8-5-3-4-6-9(8)12/h3-6,10,13H,2,7H2,1H3
InChIKeyYKPFBGYSLYSGCP-UHFFFAOYSA-N
XLogP1.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate?
The IUPAC name of ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate (CID 14265907) is ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate is CCOC(=O)N1CC(O)c2ccccc21.
What is the InChIKey of ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate?
The InChIKey is YKPFBGYSLYSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)12-7-10(13)8-5-3-4-6-9(8)12/h3-6,10,13H,2,7H2,1H3.
What are the key properties of ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate?
ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 14265907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).