4,8-dihydroisoquinoline

C9H9N — CID 57298362

IUPAC4,8-dihydroisoquinoline
SMILESC1=CCC2=CN=CCC2=C1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,6-7H,4-5H2
InChIKeyPRHHBVCOTIUZEF-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.23
Rot. Bonds

About 4,8-dihydroisoquinoline

4,8-dihydroisoquinoline (PubChem CID 57298362) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 4,8-dihydroisoquinoline.

Molecular Properties

Compound Name4,8-dihydroisoquinoline
PubChem CID57298362
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name4,8-dihydroisoquinoline
SMILESC1=CCC2=CN=CCC2=C1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,6-7H,4-5H2
InChIKeyPRHHBVCOTIUZEF-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,8-dihydroisoquinoline?
The IUPAC name of 4,8-dihydroisoquinoline (CID 57298362) is 4,8-dihydroisoquinoline.
What is the SMILES notation for 4,8-dihydroisoquinoline?
The canonical SMILES for 4,8-dihydroisoquinoline is C1=CCC2=CN=CCC2=C1.
What is the InChIKey of 4,8-dihydroisoquinoline?
The InChIKey is PRHHBVCOTIUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-3,6-7H,4-5H2.
What are the key properties of 4,8-dihydroisoquinoline?
4,8-dihydroisoquinoline has a molecular weight of 131.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydroisoquinoline is sourced from PubChem (CID 57298362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).