1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol

C11H13NO — CID 83358351

IUPAC1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESC=CC1NCCc2cccc(O)c21
InChIInChI=1S/C11H13NO/c1-2-9-11-8(6-7-12-9)4-3-5-10(11)13/h2-5,9,12-13H,1,6-7H2
InChIKeyAKJIQKSGFVYENV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.76
Rot. Bonds1

About 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol

1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol (PubChem CID 83358351) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol.

Molecular Properties

Compound Name1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol
PubChem CID83358351
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol
SMILESC=CC1NCCc2cccc(O)c21
InChIInChI=1S/C11H13NO/c1-2-9-11-8(6-7-12-9)4-3-5-10(11)13/h2-5,9,12-13H,1,6-7H2
InChIKeyAKJIQKSGFVYENV-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline
CID 83358714
1-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 174954267
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358374
1-ethenyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83359841
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 50877055
(1S)-7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 124547289
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
1-ethenyl-2,3-dihydro-1H-isoindole
CID 89142586
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 121229284
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
8-methyl-5,6,7,8-tetrahydronaphthalene-1,7-diol
CID 115010745

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The IUPAC name of 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol (CID 83358351) is 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
What is the SMILES notation for 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The canonical SMILES for 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol is C=CC1NCCc2cccc(O)c21.
What is the InChIKey of 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
The InChIKey is AKJIQKSGFVYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-9-11-8(6-7-12-9)4-3-5-10(11)13/h2-5,9,12-13H,1,6-7H2.
What are the key properties of 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol?
1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol has a molecular weight of 175.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol is sourced from PubChem (CID 83358351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).