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

C12H11NO2 — CID 44582522

IUPAC8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
SMILESCn1cc2c(c1)-c1oc(=O)ccc1CC2
InChIInChI=1S/C12H11NO2/c1-13-6-9-3-2-8-4-5-11(14)15-12(8)10(9)7-13/h4-7H,2-3H2,1H3
InChIKeyWNEJPCDCOTTWND-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.74
Rot. Bonds

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

8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one (PubChem CID 44582522) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one.

Molecular Properties

Compound Name8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
PubChem CID44582522
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one
SMILESCn1cc2c(c1)-c1oc(=O)ccc1CC2
InChIInChI=1S/C12H11NO2/c1-13-6-9-3-2-8-4-5-11(14)15-12(8)10(9)7-13/h4-7H,2-3H2,1H3
InChIKeyWNEJPCDCOTTWND-UHFFFAOYSA-N
XLogP1.74
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
The IUPAC name of 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one (CID 44582522) is 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one.
What is the SMILES notation for 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
The canonical SMILES for 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one is Cn1cc2c(c1)-c1oc(=O)ccc1CC2.
What is the InChIKey of 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
The InChIKey is WNEJPCDCOTTWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13-6-9-3-2-8-4-5-11(14)15-12(8)10(9)7-13/h4-7H,2-3H2,1H3.
What are the key properties of 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one?
8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6-dihydropyrano[2,3-e]isoindol-2-one is sourced from PubChem (CID 44582522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).