8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione

C12H10N2O3 — CID 88897199

IUPAC8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione
SMILESNC1=CC2=CC=CC3C(=O)N(O)C(=O)C(=C1)C23
InChIInChI=1S/C12H10N2O3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(16)14(17)11(8)15/h1-5,8,10,17H,13H2
InChIKeyZOABJLDSCYJMPO-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.26
Rot. Bonds

About 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione

8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione (PubChem CID 88897199) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione
PubChem CID88897199
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione
SMILESNC1=CC2=CC=CC3C(=O)N(O)C(=O)C(=C1)C23
InChIInChI=1S/C12H10N2O3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(16)14(17)11(8)15/h1-5,8,10,17H,13H2
InChIKeyZOABJLDSCYJMPO-UHFFFAOYSA-N
XLogP0.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione (CID 88897199) is 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione is NC1=CC2=CC=CC3C(=O)N(O)C(=O)C(=C1)C23.
What is the InChIKey of 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione?
The InChIKey is ZOABJLDSCYJMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c13-7-4-6-2-1-3-8-10(6)9(5-7)12(16)14(17)11(8)15/h1-5,8,10,17H,13H2.
What are the key properties of 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione?
8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione has a molecular weight of 230.22 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-hydroxy-3a,9b-dihydrobenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 88897199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).