8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline

C11H12ClN — CID 83358714

IUPAC8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline
SMILESC=CC1NCCc2cccc(Cl)c21
InChIInChI=1S/C11H12ClN/c1-2-10-11-8(6-7-13-10)4-3-5-9(11)12/h2-5,10,13H,1,6-7H2
InChIKeyQEAGVXLTURTFFO-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.71
Rot. Bonds1

About 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline

8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83358714) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83358714
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline
SMILESC=CC1NCCc2cccc(Cl)c21
InChIInChI=1S/C11H12ClN/c1-2-10-11-8(6-7-13-10)4-3-5-9(11)12/h2-5,10,13H,1,6-7H2
InChIKeyQEAGVXLTURTFFO-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline 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

1-ethenyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358351
8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 83358632
1-chloro-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 174954267
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
1-ethenyl-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83359841
(2S)-2-(2,6-dichlorophenyl)azetidine;hydrochloride
CID 171196615
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 134294877
5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-3-one
CID 50877055
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
1-ethenyl-2,3-dihydro-1H-isoindole
CID 89142586
1-(1-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 83358374

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline (CID 83358714) is 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline is C=CC1NCCc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QEAGVXLTURTFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-2-10-11-8(6-7-13-10)4-3-5-9(11)12/h2-5,10,13H,1,6-7H2.
What are the key properties of 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline?
8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 193.68 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83358714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).