2,3-dihydrobenzo[de]isoquinolin-1-one

C12H9NO — CID 10130246

IUPAC2,3-dihydrobenzo[de]isoquinolin-1-one
SMILESO=C1NCc2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c14-12-10-6-2-4-8-3-1-5-9(7-13-12)11(8)10/h1-6H,7H2,(H,13,14)
InChIKeyQGJHNXPHHOCUAH-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.08
Rot. Bonds

About 2,3-dihydrobenzo[de]isoquinolin-1-one

2,3-dihydrobenzo[de]isoquinolin-1-one (PubChem CID 10130246) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2,3-dihydrobenzo[de]isoquinolin-1-one.

Molecular Properties

Compound Name2,3-dihydrobenzo[de]isoquinolin-1-one
PubChem CID10130246
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2,3-dihydrobenzo[de]isoquinolin-1-one
SMILESO=C1NCc2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c14-12-10-6-2-4-8-3-1-5-9(7-13-12)11(8)10/h1-6H,7H2,(H,13,14)
InChIKeyQGJHNXPHHOCUAH-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrobenzo[de]isoquinolin-1-one?
The IUPAC name of 2,3-dihydrobenzo[de]isoquinolin-1-one (CID 10130246) is 2,3-dihydrobenzo[de]isoquinolin-1-one.
What is the SMILES notation for 2,3-dihydrobenzo[de]isoquinolin-1-one?
The canonical SMILES for 2,3-dihydrobenzo[de]isoquinolin-1-one is O=C1NCc2cccc3cccc1c23.
What is the InChIKey of 2,3-dihydrobenzo[de]isoquinolin-1-one?
The InChIKey is QGJHNXPHHOCUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c14-12-10-6-2-4-8-3-1-5-9(7-13-12)11(8)10/h1-6H,7H2,(H,13,14).
What are the key properties of 2,3-dihydrobenzo[de]isoquinolin-1-one?
2,3-dihydrobenzo[de]isoquinolin-1-one has a molecular weight of 183.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrobenzo[de]isoquinolin-1-one is sourced from PubChem (CID 10130246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).