1,4,5,6-tetrahydroisoquinoline

C9H11N — CID 91099923

IUPAC1,4,5,6-tetrahydroisoquinoline
SMILESC1=CC2=C(CC=NC2)CC1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h2,4,6H,1,3,5,7H2
InChIKeyFDNRSDGBCXRQGJ-UHFFFAOYSA-N
MW133.19 g/mol
LogP2.11
Rot. Bonds

About 1,4,5,6-tetrahydroisoquinoline

1,4,5,6-tetrahydroisoquinoline (PubChem CID 91099923) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 1,4,5,6-tetrahydroisoquinoline.

Molecular Properties

Compound Name1,4,5,6-tetrahydroisoquinoline
PubChem CID91099923
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name1,4,5,6-tetrahydroisoquinoline
SMILESC1=CC2=C(CC=NC2)CC1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h2,4,6H,1,3,5,7H2
InChIKeyFDNRSDGBCXRQGJ-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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Related Compounds

Tetrahydroquinoline
CID 94356
1,5-Dihydroisoquinoline
CID 91129745
3,4,5,6-Tetrahydroquinoline
CID 54214651
3,5,6,8a-Tetrahydroquinoline
CID 90716025
2,8-Dihydroquinoline
CID 53423727
3,5,8,8a-Tetrahydroquinoline
CID 54491121
4-(2,5-Dihydropyridin-4-yl)-2,5-dihydropyridine
CID 56975599
3-Azabicyclo[6.2.2]dodeca-2,7,9-triene
CID 57068287
2-Azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
CID 57084560
8,8a-Dihydroquinoline
CID 57104900
6-methylidene-4,7-dihydro-1H-isoquinoline
CID 57125600
4H-cyclohepta[c]pyridine
CID 57168320

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydroisoquinoline?
The IUPAC name of 1,4,5,6-tetrahydroisoquinoline (CID 91099923) is 1,4,5,6-tetrahydroisoquinoline.
What is the SMILES notation for 1,4,5,6-tetrahydroisoquinoline?
The canonical SMILES for 1,4,5,6-tetrahydroisoquinoline is C1=CC2=C(CC=NC2)CC1.
What is the InChIKey of 1,4,5,6-tetrahydroisoquinoline?
The InChIKey is FDNRSDGBCXRQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h2,4,6H,1,3,5,7H2.
What are the key properties of 1,4,5,6-tetrahydroisoquinoline?
1,4,5,6-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 1,4,5,6-tetrahydroisoquinoline is sourced from PubChem (CID 91099923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).