5-pyridin-3-yl-2,3-dihydroinden-1-one

C14H11NO — CID 18407230

IUPAC5-pyridin-3-yl-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2
InChIKeyQNSOPUXDEXJMIY-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.88
Rot. Bonds1

About 5-pyridin-3-yl-2,3-dihydroinden-1-one

5-pyridin-3-yl-2,3-dihydroinden-1-one (PubChem CID 18407230) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-pyridin-3-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-pyridin-3-yl-2,3-dihydroinden-1-one
PubChem CID18407230
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name5-pyridin-3-yl-2,3-dihydroinden-1-one
SMILESO=C1CCc2cc(-c3cccnc3)ccc21
InChIInChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2
InChIKeyQNSOPUXDEXJMIY-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[3-(hydroxymethyl)phenyl]-2,3-dihydroinden-1-one
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5-(4-methoxyphenyl)-2,3-dihydroinden-1-one
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5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one
CID 50966477
5-(1,3-benzodioxol-5-yl)-2,3-dihydroinden-1-one
CID 11242192
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CID 86232079
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
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3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-2,3-dihydroinden-1-one?
The IUPAC name of 5-pyridin-3-yl-2,3-dihydroinden-1-one (CID 18407230) is 5-pyridin-3-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-pyridin-3-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-pyridin-3-yl-2,3-dihydroinden-1-one is O=C1CCc2cc(-c3cccnc3)ccc21.
What is the InChIKey of 5-pyridin-3-yl-2,3-dihydroinden-1-one?
The InChIKey is QNSOPUXDEXJMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-14-6-4-11-8-10(3-5-13(11)14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2.
What are the key properties of 5-pyridin-3-yl-2,3-dihydroinden-1-one?
5-pyridin-3-yl-2,3-dihydroinden-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 18407230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).