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

C11H14ClNO2 — CID 66722381

IUPACethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CNc2ccccc21.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10;/h3-6,9,12H,2,7H2,1H3;1H
InChIKeyUTVZZTHZNFVPSH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.18
Rot. Bonds2

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

ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride (PubChem CID 66722381) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
PubChem CID66722381
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Nameethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1CNc2ccccc21.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10;/h3-6,9,12H,2,7H2,1H3;1H
InChIKeyUTVZZTHZNFVPSH-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride (CID 66722381) is ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride is CCOC(=O)C1CNc2ccccc21.Cl.
What is the InChIKey of ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride?
The InChIKey is UTVZZTHZNFVPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10;/h3-6,9,12H,2,7H2,1H3;1H.
What are the key properties of ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride?
ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydro-1H-indole-3-carboxylate;hydrochloride is sourced from PubChem (CID 66722381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).