5,6-dihydrobenzo[f]isoquinoline

C13H11N — CID 14566470

IUPAC5,6-dihydrobenzo[f]isoquinoline
SMILESc1ccc2c(c1)CCc1cnccc1-2
InChIInChI=1S/C13H11N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-4,7-9H,5-6H2
InChIKeyREXIPJDOZCHSJF-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.85
Rot. Bonds

About 5,6-dihydrobenzo[f]isoquinoline

5,6-dihydrobenzo[f]isoquinoline (PubChem CID 14566470) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 5,6-dihydrobenzo[f]isoquinoline.

Molecular Properties

Compound Name5,6-dihydrobenzo[f]isoquinoline
PubChem CID14566470
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name5,6-dihydrobenzo[f]isoquinoline
SMILESc1ccc2c(c1)CCc1cnccc1-2
InChIInChI=1S/C13H11N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-4,7-9H,5-6H2
InChIKeyREXIPJDOZCHSJF-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydrobenzo[f]isoquinoline?
The IUPAC name of 5,6-dihydrobenzo[f]isoquinoline (CID 14566470) is 5,6-dihydrobenzo[f]isoquinoline.
What is the SMILES notation for 5,6-dihydrobenzo[f]isoquinoline?
The canonical SMILES for 5,6-dihydrobenzo[f]isoquinoline is c1ccc2c(c1)CCc1cnccc1-2.
What is the InChIKey of 5,6-dihydrobenzo[f]isoquinoline?
The InChIKey is REXIPJDOZCHSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c1-2-4-12-10(3-1)5-6-11-9-14-8-7-13(11)12/h1-4,7-9H,5-6H2.
What are the key properties of 5,6-dihydrobenzo[f]isoquinoline?
5,6-dihydrobenzo[f]isoquinoline has a molecular weight of 181.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydrobenzo[f]isoquinoline is sourced from PubChem (CID 14566470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).