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

C11H14ClNO2 — CID 22822759

IUPACethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1Cc2ccccc2N1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h3-6,10,12H,2,7H2,1H3;1H/t10-;/m0./s1
InChIKeyVTNFLVJEOPKVIC-PPHPATTJSA-N
MW227.69 g/mol
LogP2.01
Rot. Bonds2

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

ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride (PubChem CID 22822759) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride
PubChem CID22822759
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@@H]1Cc2ccccc2N1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h3-6,10,12H,2,7H2,1H3;1H/t10-;/m0./s1
InChIKeyVTNFLVJEOPKVIC-PPHPATTJSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.01
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;hydrochloride?
The IUPAC name of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride (CID 22822759) is ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride is CCOC(=O)[C@@H]1Cc2ccccc2N1.Cl.
What is the InChIKey of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
The InChIKey is VTNFLVJEOPKVIC-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10;/h3-6,10,12H,2,7H2,1H3;1H/t10-;/m0./s1.
What are the key properties of ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
ethyl (2S)-2,3-dihydro-1H-indole-2-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.01, 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;hydrochloride is sourced from PubChem (CID 22822759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).