2H-[1]benzofuro[3,2-e]isoindole

C14H9NO — CID 54186239

IUPAC2H-[1]benzofuro[3,2-e]isoindole
SMILESc1ccc2c(c1)oc1ccc3c[nH]cc3c12
InChIInChI=1S/C14H9NO/c1-2-4-12-10(3-1)14-11-8-15-7-9(11)5-6-13(14)16-12/h1-8,15H
InChIKeyPFHVEIAPEQYYCX-UHFFFAOYSA-N
MW207.23 g/mol
LogP4.07
Rot. Bonds

About 2H-[1]benzofuro[3,2-e]isoindole

2H-[1]benzofuro[3,2-e]isoindole (PubChem CID 54186239) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 2H-[1]benzofuro[3,2-e]isoindole.

Molecular Properties

Compound Name2H-[1]benzofuro[3,2-e]isoindole
PubChem CID54186239
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name2H-[1]benzofuro[3,2-e]isoindole
SMILESc1ccc2c(c1)oc1ccc3c[nH]cc3c12
InChIInChI=1S/C14H9NO/c1-2-4-12-10(3-1)14-11-8-15-7-9(11)5-6-13(14)16-12/h1-8,15H
InChIKeyPFHVEIAPEQYYCX-UHFFFAOYSA-N
XLogP4.07
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-[1]benzofuro[3,2-e]isoindole?
The IUPAC name of 2H-[1]benzofuro[3,2-e]isoindole (CID 54186239) is 2H-[1]benzofuro[3,2-e]isoindole.
What is the SMILES notation for 2H-[1]benzofuro[3,2-e]isoindole?
The canonical SMILES for 2H-[1]benzofuro[3,2-e]isoindole is c1ccc2c(c1)oc1ccc3c[nH]cc3c12.
What is the InChIKey of 2H-[1]benzofuro[3,2-e]isoindole?
The InChIKey is PFHVEIAPEQYYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c1-2-4-12-10(3-1)14-11-8-15-7-9(11)5-6-13(14)16-12/h1-8,15H.
What are the key properties of 2H-[1]benzofuro[3,2-e]isoindole?
2H-[1]benzofuro[3,2-e]isoindole has a molecular weight of 207.23 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1]benzofuro[3,2-e]isoindole is sourced from PubChem (CID 54186239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).