1,2,3,4-tetrahydroisoquinoline;hydroiodide

C9H12IN — CID 141050859

IUPAC1,2,3,4-tetrahydroisoquinoline;hydroiodide
SMILESI.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.HI/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKeyXRJZKHBBXPSWLM-UHFFFAOYSA-N
MW261.11 g/mol
LogP1.95
Rot. Bonds

About 1,2,3,4-tetrahydroisoquinoline;hydroiodide

1,2,3,4-tetrahydroisoquinoline;hydroiodide (PubChem CID 141050859) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline;hydroiodide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline;hydroiodide
PubChem CID141050859
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name1,2,3,4-tetrahydroisoquinoline;hydroiodide
SMILESI.c1ccc2c(c1)CCNC2
InChIInChI=1S/C9H11N.HI/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H
InChIKeyXRJZKHBBXPSWLM-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline;hydroiodide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline;hydroiodide (CID 141050859) is 1,2,3,4-tetrahydroisoquinoline;hydroiodide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline;hydroiodide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline;hydroiodide is I.c1ccc2c(c1)CCNC2.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline;hydroiodide?
The InChIKey is XRJZKHBBXPSWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.HI/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-4,10H,5-7H2;1H.
What are the key properties of 1,2,3,4-tetrahydroisoquinoline;hydroiodide?
1,2,3,4-tetrahydroisoquinoline;hydroiodide has a molecular weight of 261.11 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline;hydroiodide is sourced from PubChem (CID 141050859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).