6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol

C10H11NO3 — CID 24837686

IUPAC6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
SMILESOC1CNCc2c1ccc1c2OCO1
InChIInChI=1S/C10H11NO3/c12-8-4-11-3-7-6(8)1-2-9-10(7)14-5-13-9/h1-2,8,11-12H,3-5H2
InChIKeyVHIMVMYUGLSXOT-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.55
Rot. Bonds

About 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol

6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol (PubChem CID 24837686) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
PubChem CID24837686
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol
SMILESOC1CNCc2c1ccc1c2OCO1
InChIInChI=1S/C10H11NO3/c12-8-4-11-3-7-6(8)1-2-9-10(7)14-5-13-9/h1-2,8,11-12H,3-5H2
InChIKeyVHIMVMYUGLSXOT-UHFFFAOYSA-N
XLogP0.55
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol with MolForge

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Related Compounds

spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,4'-piperidine]-6-ol
CID 82045766
(1S,12S,13R)-24-methyl-24-oxido-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
CID 21153655
3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 84684757
8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine
CID 134208029
6,8,8-trimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]quinolin-7-ol
CID 68555017
5-(4-hydroxy-1,3-benzodioxol-5-yl)pyrrolidine-3-carboxylic acid
CID 117380536
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
CID 117351988
(9S)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-9-ol
CID 977765
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726
(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrate
CID 6420008
18,20-dioxahexacyclo[12.11.0.03,12.05,10.016,24.017,21]pentacosa-1(14),3,5,7,9,11,15,17(21),22,24-decaene-2,13-diol
CID 86100469
(6S,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9R)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6S,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;(6R,9S)-9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol;9-propyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromen-6-ol
CID 161390943

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
The IUPAC name of 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol (CID 24837686) is 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol.
What is the SMILES notation for 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
The canonical SMILES for 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol is OC1CNCc2c1ccc1c2OCO1.
What is the InChIKey of 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
The InChIKey is VHIMVMYUGLSXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-8-4-11-3-7-6(8)1-2-9-10(7)14-5-13-9/h1-2,8,11-12H,3-5H2.
What are the key properties of 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol?
6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol has a molecular weight of 193.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h]isoquinolin-6-ol is sourced from PubChem (CID 24837686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).