8H-pyrano[2,3-e]isoindol-2-one

C11H7NO2 — CID 90757107

IUPAC8H-pyrano[2,3-e]isoindol-2-one
SMILESO=c1ccc2ccc3c[nH]cc3c2o1
InChIInChI=1S/C11H7NO2/c13-10-4-3-7-1-2-8-5-12-6-9(8)11(7)14-10/h1-6,12H
InChIKeyUEVLAUXIFVYXFW-UHFFFAOYSA-N
MW185.18 g/mol
LogP2.27
Rot. Bonds

About 8H-pyrano[2,3-e]isoindol-2-one

8H-pyrano[2,3-e]isoindol-2-one (PubChem CID 90757107) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 8H-pyrano[2,3-e]isoindol-2-one.

Molecular Properties

Compound Name8H-pyrano[2,3-e]isoindol-2-one
PubChem CID90757107
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name8H-pyrano[2,3-e]isoindol-2-one
SMILESO=c1ccc2ccc3c[nH]cc3c2o1
InChIInChI=1S/C11H7NO2/c13-10-4-3-7-1-2-8-5-12-6-9(8)11(7)14-10/h1-6,12H
InChIKeyUEVLAUXIFVYXFW-UHFFFAOYSA-N
XLogP2.27
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8H-pyrano[2,3-e]isoindol-2-one?
The IUPAC name of 8H-pyrano[2,3-e]isoindol-2-one (CID 90757107) is 8H-pyrano[2,3-e]isoindol-2-one.
What is the SMILES notation for 8H-pyrano[2,3-e]isoindol-2-one?
The canonical SMILES for 8H-pyrano[2,3-e]isoindol-2-one is O=c1ccc2ccc3c[nH]cc3c2o1.
What is the InChIKey of 8H-pyrano[2,3-e]isoindol-2-one?
The InChIKey is UEVLAUXIFVYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c13-10-4-3-7-1-2-8-5-12-6-9(8)11(7)14-10/h1-6,12H.
What are the key properties of 8H-pyrano[2,3-e]isoindol-2-one?
8H-pyrano[2,3-e]isoindol-2-one has a molecular weight of 185.18 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrano[2,3-e]isoindol-2-one is sourced from PubChem (CID 90757107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).