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

C11H14N2O — CID 20806588

IUPAC2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCc2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,12H2,1H3
InChIKeyXZHRLYUEEHDTFI-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.92
Rot. Bonds1

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

2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 20806588) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID20806588
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCc2ccccc21
InChIInChI=1S/C11H14N2O/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,12H2,1H3
InChIKeyXZHRLYUEEHDTFI-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
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1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
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(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 20806588) is 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(N)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is XZHRLYUEEHDTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(12)11(14)13-7-6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one?
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 190.25 g/mol, XLogP of 0.92, 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 is sourced from PubChem (CID 20806588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).