1,2,5,6-tetrahydroisoquinoline

C9H11N — CID 173071851

IUPAC1,2,5,6-tetrahydroisoquinoline
SMILESC1=CC2=C(C=CNC2)CC1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h2,4-6,10H,1,3,7H2
InChIKeyCXOUAQNGTZSUNA-UHFFFAOYSA-N
MW133.19 g/mol
LogP1.75
Rot. Bonds

About 1,2,5,6-tetrahydroisoquinoline

1,2,5,6-tetrahydroisoquinoline (PubChem CID 173071851) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,2,5,6-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,2,5,6-tetrahydroisoquinoline
PubChem CID173071851
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1,2,5,6-tetrahydroisoquinoline
SMILESC1=CC2=C(C=CNC2)CC1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h2,4-6,10H,1,3,7H2
InChIKeyCXOUAQNGTZSUNA-UHFFFAOYSA-N
XLogP1.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetrahydroisoquinoline?
The IUPAC name of 1,2,5,6-tetrahydroisoquinoline (CID 173071851) is 1,2,5,6-tetrahydroisoquinoline.
What is the SMILES notation for 1,2,5,6-tetrahydroisoquinoline?
The canonical SMILES for 1,2,5,6-tetrahydroisoquinoline is C1=CC2=C(C=CNC2)CC1.
What is the InChIKey of 1,2,5,6-tetrahydroisoquinoline?
The InChIKey is CXOUAQNGTZSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h2,4-6,10H,1,3,7H2.
What are the key properties of 1,2,5,6-tetrahydroisoquinoline?
1,2,5,6-tetrahydroisoquinoline has a molecular weight of 133.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrahydroisoquinoline is sourced from PubChem (CID 173071851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).