1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one

C17H17NO — CID 86070231

IUPAC1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCc2ccccc21
InChIInChI=1S/C17H17NO/c1-2-17(19)14-8-4-6-10-16(14)18-12-11-13-7-3-5-9-15(13)18/h3-10H,2,11-12H2,1H3
InChIKeyPDXSVVYINYDLMC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.97
Rot. Bonds3

About 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one

1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one (PubChem CID 86070231) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
PubChem CID86070231
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N1CCc2ccccc21
InChIInChI=1S/C17H17NO/c1-2-17(19)14-8-4-6-10-16(14)18-12-11-13-7-3-5-9-15(13)18/h3-10H,2,11-12H2,1H3
InChIKeyPDXSVVYINYDLMC-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S)-1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one (CID 86070231) is 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one?
The InChIKey is PDXSVVYINYDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-17(19)14-8-4-6-10-16(14)18-12-11-13-7-3-5-9-15(13)18/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one?
1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 86070231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).