5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

C10H12NO2+ — CID 3618065

IUPAC5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
SMILESc1c2c(cc3c1OCO3)C[NH2+]CC2
InChIInChI=1S/C10H11NO2/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h3-4,11H,1-2,5-6H2/p+1
InChIKeyJHLDJOBIUVJSTG-UHFFFAOYSA-O
MW178.21 g/mol
LogP0.03
Rot. Bonds

About 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium (PubChem CID 3618065) has the molecular formula C10H12NO2+ and a molecular weight of 178.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
PubChem CID3618065
Molecular FormulaC10H12NO2+
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
SMILESc1c2c(cc3c1OCO3)C[NH2+]CC2
InChIInChI=1S/C10H11NO2/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h3-4,11H,1-2,5-6H2/p+1
InChIKeyJHLDJOBIUVJSTG-UHFFFAOYSA-O
XLogP0.03
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium with MolForge

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

Launch Full Analysis

Related Compounds

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
CID 27012
dimethyl-[(8R)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl]azanium
CID 9170046
5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
CID 142057462
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240
6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 2752336
6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
CID 3397945
7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 12557876
5-chloro-6-iodo-1,3-benzodioxole
CID 57443616
cyclopenta[f][1,3]benzodioxole-5,7-dione
CID 11127061
5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine
CID 168797077

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium?
The IUPAC name of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium (CID 3618065) is 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium is c1c2c(cc3c1OCO3)C[NH2+]CC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium?
The InChIKey is JHLDJOBIUVJSTG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11NO2/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h3-4,11H,1-2,5-6H2/p+1.
What are the key properties of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium?
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium has a molecular weight of 178.21 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium is sourced from PubChem (CID 3618065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).