1,5,6,7-tetrahydroisoquinoline

C9H11N — CID 90877689

IUPAC1,5,6,7-tetrahydroisoquinoline
SMILESC1=NCC2=CCCCC2=C1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h4-6H,1-3,7H2
InChIKeyDRWYBDDCDFNRBQ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 1,5,6,7-tetrahydroisoquinoline

1,5,6,7-tetrahydroisoquinoline (PubChem CID 90877689) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,5,6,7-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,5,6,7-tetrahydroisoquinoline
PubChem CID90877689
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1,5,6,7-tetrahydroisoquinoline
SMILESC1=NCC2=CCCCC2=C1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h4-6H,1-3,7H2
InChIKeyDRWYBDDCDFNRBQ-UHFFFAOYSA-N
XLogP2.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,7-tetrahydroisoquinoline?
The IUPAC name of 1,5,6,7-tetrahydroisoquinoline (CID 90877689) is 1,5,6,7-tetrahydroisoquinoline.
What is the SMILES notation for 1,5,6,7-tetrahydroisoquinoline?
The canonical SMILES for 1,5,6,7-tetrahydroisoquinoline is C1=NCC2=CCCCC2=C1.
What is the InChIKey of 1,5,6,7-tetrahydroisoquinoline?
The InChIKey is DRWYBDDCDFNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h4-6H,1-3,7H2.
What are the key properties of 1,5,6,7-tetrahydroisoquinoline?
1,5,6,7-tetrahydroisoquinoline has a molecular weight of 133.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,7-tetrahydroisoquinoline is sourced from PubChem (CID 90877689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).