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

C10H12ClNO2 — CID 18358071

IUPACmethyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride
SMILESCOC(=O)C1Cc2ccccc2N1.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9;/h2-5,9,11H,6H2,1H3;1H
InChIKeyFEJNUJIJMMGHMS-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.62
Rot. Bonds1

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

methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride (PubChem CID 18358071) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride
PubChem CID18358071
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride
SMILESCOC(=O)C1Cc2ccccc2N1.Cl
InChIInChI=1S/C10H11NO2.ClH/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9;/h2-5,9,11H,6H2,1H3;1H
InChIKeyFEJNUJIJMMGHMS-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride (CID 18358071) is methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride is COC(=O)C1Cc2ccccc2N1.Cl.
What is the InChIKey of methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
The InChIKey is FEJNUJIJMMGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9;/h2-5,9,11H,6H2,1H3;1H.
What are the key properties of methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride?
methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dihydro-1H-indole-2-carboxylate;hydrochloride is sourced from PubChem (CID 18358071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).