5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

C17H15NO2 — CID 176510971

IUPAC5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c1cccc2-c1cccc2c1CCO2
InChIInChI=1S/C17H15NO2/c19-17-15-5-1-3-11(13(15)7-9-18-17)12-4-2-6-16-14(12)8-10-20-16/h1-6H,7-10H2,(H,18,19)
InChIKeyNOFSKWFDHZCYPW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.57
Rot. Bonds1

About 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 176510971) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID176510971
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c1cccc2-c1cccc2c1CCO2
InChIInChI=1S/C17H15NO2/c19-17-15-5-1-3-11(13(15)7-9-18-17)12-4-2-6-16-14(12)8-10-20-16/h1-6H,7-10H2,(H,18,19)
InChIKeyNOFSKWFDHZCYPW-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (CID 176510971) is 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2c1cccc2-c1cccc2c1CCO2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is NOFSKWFDHZCYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17-15-5-1-3-11(13(15)7-9-18-17)12-4-2-6-16-14(12)8-10-20-16/h1-6H,7-10H2,(H,18,19).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 176510971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).