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

C10H11NO2 — CID 27013

IUPAC5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1c2c(cc3c1OCO3)CNCC2
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
InChIKeyJHLDJOBIUVJSTG-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.06
Rot. Bonds

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

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 27013) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID27013
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1c2c(cc3c1OCO3)CNCC2
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
InChIKeyJHLDJOBIUVJSTG-UHFFFAOYSA-N
XLogP1.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CID 27013) is 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is c1c2c(cc3c1OCO3)CNCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is JHLDJOBIUVJSTG-UHFFFAOYSA-N. 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.
What are the key properties of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline?
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 177.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 27013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).