1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone

C15H14N2O — CID 13276694

IUPAC1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
InChIKeyABLRUBDAIDDHIM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.66
Rot. Bonds1

About 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone

1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 13276694) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID13276694
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3
InChIKeyABLRUBDAIDDHIM-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone (CID 13276694) is 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is ABLRUBDAIDDHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(18)17-8-6-13-9-12(4-5-15(13)17)14-3-2-7-16-10-14/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone?
1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 13276694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).