8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one

C18H15NO2 — CID 44582523

IUPAC8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
SMILESO=c1ccc2c(o1)-c1cn(Cc3ccccc3)cc1CC2
InChIInChI=1S/C18H15NO2/c20-17-9-8-14-6-7-15-11-19(12-16(15)18(14)21-17)10-13-4-2-1-3-5-13/h1-5,8-9,11-12H,6-7,10H2
InChIKeyUOGWWAKBHXGMOA-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.26
Rot. Bonds2

About 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one

8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one (PubChem CID 44582523) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one.

Molecular Properties

Compound Name8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
PubChem CID44582523
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
SMILESO=c1ccc2c(o1)-c1cn(Cc3ccccc3)cc1CC2
InChIInChI=1S/C18H15NO2/c20-17-9-8-14-6-7-15-11-19(12-16(15)18(14)21-17)10-13-4-2-1-3-5-13/h1-5,8-9,11-12H,6-7,10H2
InChIKeyUOGWWAKBHXGMOA-UHFFFAOYSA-N
XLogP3.26
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
The IUPAC name of 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one (CID 44582523) is 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one.
What is the SMILES notation for 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
The canonical SMILES for 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one is O=c1ccc2c(o1)-c1cn(Cc3ccccc3)cc1CC2.
What is the InChIKey of 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
The InChIKey is UOGWWAKBHXGMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-9-8-14-6-7-15-11-19(12-16(15)18(14)21-17)10-13-4-2-1-3-5-13/h1-5,8-9,11-12H,6-7,10H2.
What are the key properties of 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-5,6-dihydropyrano[2,3-e]isoindol-2-one is sourced from PubChem (CID 44582523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).