7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one

C11H9NO2 — CID 87579901

IUPAC7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one
SMILESO=C1NC=CC2C1=CC=C1OCC=C12
InChIInChI=1S/C11H9NO2/c13-11-9-1-2-10-8(4-6-14-10)7(9)3-5-12-11/h1-5,7H,6H2,(H,12,13)
InChIKeyHHTDEXRLZQNSPC-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.03
Rot. Bonds

About 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one

7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one (PubChem CID 87579901) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one.

Molecular Properties

Compound Name7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one
PubChem CID87579901
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one
SMILESO=C1NC=CC2C1=CC=C1OCC=C12
InChIInChI=1S/C11H9NO2/c13-11-9-1-2-10-8(4-6-14-10)7(9)3-5-12-11/h1-5,7H,6H2,(H,12,13)
InChIKeyHHTDEXRLZQNSPC-UHFFFAOYSA-N
XLogP1.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one?
The IUPAC name of 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one (CID 87579901) is 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one.
What is the SMILES notation for 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one?
The canonical SMILES for 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one is O=C1NC=CC2C1=CC=C1OCC=C12.
What is the InChIKey of 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one?
The InChIKey is HHTDEXRLZQNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-9-1-2-10-8(4-6-14-10)7(9)3-5-12-11/h1-5,7H,6H2,(H,12,13).
What are the key properties of 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one?
7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9a-dihydro-2H-furo[3,2-f]isoquinolin-6-one is sourced from PubChem (CID 87579901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).