5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol

C12H11NO2 — CID 146682673

IUPAC5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol
SMILESOc1ccc2c(c1O)Cn1cccc1C2
InChIInChI=1S/C12H11NO2/c14-11-4-3-8-6-9-2-1-5-13(9)7-10(8)12(11)15/h1-5,14-15H,6-7H2
InChIKeyBEKJGMHPQPUYJD-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.85
Rot. Bonds

About 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol

5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol (PubChem CID 146682673) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol.

Molecular Properties

Compound Name5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol
PubChem CID146682673
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol
SMILESOc1ccc2c(c1O)Cn1cccc1C2
InChIInChI=1S/C12H11NO2/c14-11-4-3-8-6-9-2-1-5-13(9)7-10(8)12(11)15/h1-5,14-15H,6-7H2
InChIKeyBEKJGMHPQPUYJD-UHFFFAOYSA-N
XLogP1.85
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol 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 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol?
The IUPAC name of 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol (CID 146682673) is 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol.
What is the SMILES notation for 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol?
The canonical SMILES for 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol is Oc1ccc2c(c1O)Cn1cccc1C2.
What is the InChIKey of 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol?
The InChIKey is BEKJGMHPQPUYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-4-3-8-6-9-2-1-5-13(9)7-10(8)12(11)15/h1-5,14-15H,6-7H2.
What are the key properties of 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol?
5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol has a molecular weight of 201.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihydropyrrolo[1,2-b]isoquinoline-6,7-diol is sourced from PubChem (CID 146682673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).