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

C12H17ClN2O — CID 119261578

IUPAC2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1c2ccccc2CC1C.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13;/h3-6,8-9H,7,13H2,1-2H3;1H
InChIKeyIWKPNUWRMDZCEO-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.73
Rot. Bonds1

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

2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (PubChem CID 119261578) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
PubChem CID119261578
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)N1c2ccccc2CC1C.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13;/h3-6,8-9H,7,13H2,1-2H3;1H
InChIKeyIWKPNUWRMDZCEO-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.73
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-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride (CID 119261578) is 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is CC(N)C(=O)N1c2ccccc2CC1C.Cl.
What is the InChIKey of 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
The InChIKey is IWKPNUWRMDZCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13;/h3-6,8-9H,7,13H2,1-2H3;1H.
What are the key properties of 2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride?
2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.73, 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-methyl-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119261578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).