3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one

C14H12N2O — CID 2815206

IUPAC3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Cc1ccccn1
InChIInChI=1S/C14H12N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-8,12H,9H2,(H,16,17)
InChIKeyPUNDIKJAFURLNT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.36
Rot. Bonds2

About 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one

3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 2815206) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID2815206
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Cc1ccccn1
InChIInChI=1S/C14H12N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-8,12H,9H2,(H,16,17)
InChIKeyPUNDIKJAFURLNT-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one (CID 2815206) is 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is PUNDIKJAFURLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14-12(9-10-5-3-4-8-15-10)11-6-1-2-7-13(11)16-14/h1-8,12H,9H2,(H,16,17).
What are the key properties of 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one?
3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 224.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 2815206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).