8-ethyl-6,7-dihydroisoquinoline

C11H13N — CID 91093281

IUPAC8-ethyl-6,7-dihydroisoquinoline
SMILESCCC1=c2cnccc2=CCC1
InChIInChI=1S/C11H13N/c1-2-9-4-3-5-10-6-7-12-8-11(9)10/h5-8H,2-4H2,1H3
InChIKeyFSHSSPBLKOYHRX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.22
Rot. Bonds1

About 8-ethyl-6,7-dihydroisoquinoline

8-ethyl-6,7-dihydroisoquinoline (PubChem CID 91093281) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 8-ethyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name8-ethyl-6,7-dihydroisoquinoline
PubChem CID91093281
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name8-ethyl-6,7-dihydroisoquinoline
SMILESCCC1=c2cnccc2=CCC1
InChIInChI=1S/C11H13N/c1-2-9-4-3-5-10-6-7-12-8-11(9)10/h5-8H,2-4H2,1H3
InChIKeyFSHSSPBLKOYHRX-UHFFFAOYSA-N
XLogP1.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,7-dihydroisoquinoline?
The IUPAC name of 8-ethyl-6,7-dihydroisoquinoline (CID 91093281) is 8-ethyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 8-ethyl-6,7-dihydroisoquinoline?
The canonical SMILES for 8-ethyl-6,7-dihydroisoquinoline is CCC1=c2cnccc2=CCC1.
What is the InChIKey of 8-ethyl-6,7-dihydroisoquinoline?
The InChIKey is FSHSSPBLKOYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-9-4-3-5-10-6-7-12-8-11(9)10/h5-8H,2-4H2,1H3.
What are the key properties of 8-ethyl-6,7-dihydroisoquinoline?
8-ethyl-6,7-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 91093281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).