1,5-dihydroisoquinoline

C9H9N — CID 91129745

IUPAC1,5-dihydroisoquinoline
SMILESC1=CCC2=CC=NCC2=C1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-2,4-6H,3,7H2
InChIKeyZLNLWAWZTWKMNN-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.88
Rot. Bonds

About 1,5-dihydroisoquinoline

1,5-dihydroisoquinoline (PubChem CID 91129745) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 1,5-dihydroisoquinoline.

Molecular Properties

Compound Name1,5-dihydroisoquinoline
PubChem CID91129745
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name1,5-dihydroisoquinoline
SMILESC1=CCC2=CC=NCC2=C1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-2,4-6H,3,7H2
InChIKeyZLNLWAWZTWKMNN-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroquinoline
CID 94356
6h,7h-Quinoline
CID 67835501
Dihydrodibenzazepine
CID 87126010
4-(2,3-Dihydropyridin-4-yl)-2,3-dihydropyridine
CID 89219434
3,5,6,8a-Tetrahydroquinoline
CID 90716025
(6E,8E)-8-(trifluoromethyl)-2,3,4,5-tetrahydroazecine
CID 144787939
1H-indeno[1,2-c]pyridine
CID 17967584
1H-Cyclopenta[C]pyridine
CID 20059250
2H-3-benzazepine
CID 23177331
2,8-Dihydroquinoline
CID 53423727
2-Azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
CID 57084560
8,8a-Dihydroquinoline
CID 57104900

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroisoquinoline?
The IUPAC name of 1,5-dihydroisoquinoline (CID 91129745) is 1,5-dihydroisoquinoline.
What is the SMILES notation for 1,5-dihydroisoquinoline?
The canonical SMILES for 1,5-dihydroisoquinoline is C1=CCC2=CC=NCC2=C1.
What is the InChIKey of 1,5-dihydroisoquinoline?
The InChIKey is ZLNLWAWZTWKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-2,4-6H,3,7H2.
What are the key properties of 1,5-dihydroisoquinoline?
1,5-dihydroisoquinoline has a molecular weight of 131.18 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroisoquinoline is sourced from PubChem (CID 91129745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).