ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate

C11H13NO2 — CID 11030625

IUPACethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1
InChIKeyKISPUTPAKVZNBI-JTQLQIEISA-N
MW191.23 g/mol
LogP1.59
Rot. Bonds2

About ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate

ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 11030625) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID11030625
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Nameethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C11H13NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1
InChIKeyKISPUTPAKVZNBI-JTQLQIEISA-N
XLogP1.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate (CID 11030625) is ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate is CCOC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is KISPUTPAKVZNBI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-6,10,12H,2,7H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate?
ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 11030625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).