7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

C10H10ClNO2 — CID 12557876

IUPAC7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESC1=NCCc2cc3c(cc21)OCO3.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;/h3-5H,1-2,6H2;1H
InChIKeyRTIDGRMONMNKDR-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.81
Rot. Bonds

About 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (PubChem CID 12557876) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.

Molecular Properties

Compound Name7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
PubChem CID12557876
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESC1=NCCc2cc3c(cc21)OCO3.Cl
InChIInChI=1S/C10H9NO2.ClH/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;/h3-5H,1-2,6H2;1H
InChIKeyRTIDGRMONMNKDR-UHFFFAOYSA-N
XLogP1.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The IUPAC name of 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (CID 12557876) is 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.
What is the SMILES notation for 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The canonical SMILES for 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is C1=NCCc2cc3c(cc21)OCO3.Cl.
What is the InChIKey of 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The InChIKey is RTIDGRMONMNKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.ClH/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;/h3-5H,1-2,6H2;1H.
What are the key properties of 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride has a molecular weight of 211.65 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is sourced from PubChem (CID 12557876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).