2H-benzo[g]isoquinolin-3-one

C13H9NO — CID 19597021

IUPAC2H-benzo[g]isoquinolin-3-one
SMILESO=c1cc2cc3ccccc3cc2c[nH]1
InChIInChI=1S/C13H9NO/c15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14-13/h1-8H,(H,14,15)
InChIKeyDZDKEMVBXGQJER-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.68
Rot. Bonds

About 2H-benzo[g]isoquinolin-3-one

2H-benzo[g]isoquinolin-3-one (PubChem CID 19597021) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-benzo[g]isoquinolin-3-one.

Molecular Properties

Compound Name2H-benzo[g]isoquinolin-3-one
PubChem CID19597021
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name2H-benzo[g]isoquinolin-3-one
SMILESO=c1cc2cc3ccccc3cc2c[nH]1
InChIInChI=1S/C13H9NO/c15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14-13/h1-8H,(H,14,15)
InChIKeyDZDKEMVBXGQJER-UHFFFAOYSA-N
XLogP2.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2H-benzo[g]isoquinolin-3-one?
The IUPAC name of 2H-benzo[g]isoquinolin-3-one (CID 19597021) is 2H-benzo[g]isoquinolin-3-one.
What is the SMILES notation for 2H-benzo[g]isoquinolin-3-one?
The canonical SMILES for 2H-benzo[g]isoquinolin-3-one is O=c1cc2cc3ccccc3cc2c[nH]1.
What is the InChIKey of 2H-benzo[g]isoquinolin-3-one?
The InChIKey is DZDKEMVBXGQJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14-13/h1-8H,(H,14,15).
What are the key properties of 2H-benzo[g]isoquinolin-3-one?
2H-benzo[g]isoquinolin-3-one has a molecular weight of 195.22 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzo[g]isoquinolin-3-one is sourced from PubChem (CID 19597021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).