3-(2-aminoethyl)indol-2-one;hydrochloride

C10H11ClN2O — CID 86769185

IUPAC3-(2-aminoethyl)indol-2-one;hydrochloride
SMILESCl.NCCC1=c2ccccc2=NC1=O
InChIInChI=1S/C10H10N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4H,5-6,11H2;1H
InChIKeyGVHMBUQQXYXHNL-UHFFFAOYSA-N
MW210.66 g/mol
LogP-0.23
Rot. Bonds2

About 3-(2-aminoethyl)indol-2-one;hydrochloride

3-(2-aminoethyl)indol-2-one;hydrochloride (PubChem CID 86769185) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 3-(2-aminoethyl)indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)indol-2-one;hydrochloride
PubChem CID86769185
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name3-(2-aminoethyl)indol-2-one;hydrochloride
SMILESCl.NCCC1=c2ccccc2=NC1=O
InChIInChI=1S/C10H10N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4H,5-6,11H2;1H
InChIKeyGVHMBUQQXYXHNL-UHFFFAOYSA-N
XLogP-0.23
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)indol-2-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)indol-2-one;hydrochloride (CID 86769185) is 3-(2-aminoethyl)indol-2-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)indol-2-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)indol-2-one;hydrochloride is Cl.NCCC1=c2ccccc2=NC1=O.
What is the InChIKey of 3-(2-aminoethyl)indol-2-one;hydrochloride?
The InChIKey is GVHMBUQQXYXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.ClH/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13;/h1-4H,5-6,11H2;1H.
What are the key properties of 3-(2-aminoethyl)indol-2-one;hydrochloride?
3-(2-aminoethyl)indol-2-one;hydrochloride has a molecular weight of 210.66 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)indol-2-one;hydrochloride is sourced from PubChem (CID 86769185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).