2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one

C15H16N2O — CID 83208014

IUPAC2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(CCc3ccccn3)cc21
InChIInChI=1S/C15H16N2O/c18-15-6-3-4-12-10-17(11-14(12)15)9-7-13-5-1-2-8-16-13/h1-2,5,8,10-11H,3-4,6-7,9H2
InChIKeyOCWJCJFJLDSORP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one

2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one (PubChem CID 83208014) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one
PubChem CID83208014
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one
SMILESO=C1CCCc2cn(CCc3ccccn3)cc21
InChIInChI=1S/C15H16N2O/c18-15-6-3-4-12-10-17(11-14(12)15)9-7-13-5-1-2-8-16-13/h1-2,5,8,10-11H,3-4,6-7,9H2
InChIKeyOCWJCJFJLDSORP-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
2-octyl-6,7-dihydro-5H-isoindol-4-one
CID 83208596
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6,7-dihydro-5H-isoindol-4-one
CID 83209448
6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 22324870
2-pentyl-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206679
2-(4-hydroxybutyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83206254
N-methyl-3-(7-oxo-5,6-dihydro-4H-isoindol-2-yl)propanamide
CID 83209148
2-(1,2-oxazol-5-ylmethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 83207378
2-[3-(dimethylamino)propyl]-5,6,7,8-tetrahydrocyclohepta[c]pyrrol-4-one
CID 114526138
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one?
The IUPAC name of 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one (CID 83208014) is 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one is O=C1CCCc2cn(CCc3ccccn3)cc21.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one?
The InChIKey is OCWJCJFJLDSORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15-6-3-4-12-10-17(11-14(12)15)9-7-13-5-1-2-8-16-13/h1-2,5,8,10-11H,3-4,6-7,9H2.
What are the key properties of 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one?
2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one has a molecular weight of 240.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-isoindol-4-one is sourced from PubChem (CID 83208014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).