2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride

C11H15ClN2O — CID 47003259

IUPAC2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCc2ccccc21.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13;/h2-5,8H,6-7,12H2,1H3;1H
InChIKeyRMRGKSSRCKOMRL-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.34
Rot. Bonds1

About 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride

2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (PubChem CID 47003259) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
PubChem CID47003259
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1CCc2ccccc21.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13;/h2-5,8H,6-7,12H2,1H3;1H
InChIKeyRMRGKSSRCKOMRL-UHFFFAOYSA-N
XLogP1.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (CID 47003259) is 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is CC(N)C(=O)N1CCc2ccccc21.Cl.
What is the InChIKey of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The InChIKey is RMRGKSSRCKOMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13;/h2-5,8H,6-7,12H2,1H3;1H.
What are the key properties of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 47003259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).