3-ethyl-2,3-dihydroisoquinoline

C11H13N — CID 143250945

IUPAC3-ethyl-2,3-dihydroisoquinoline
SMILESCCC1C=c2ccccc2=CN1
InChIInChI=1S/C11H13N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-8,11-12H,2H2,1H3
InChIKeyJEVWCRBVJXFFEB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.59
Rot. Bonds1

About 3-ethyl-2,3-dihydroisoquinoline

3-ethyl-2,3-dihydroisoquinoline (PubChem CID 143250945) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-ethyl-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-2,3-dihydroisoquinoline
PubChem CID143250945
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-ethyl-2,3-dihydroisoquinoline
SMILESCCC1C=c2ccccc2=CN1
InChIInChI=1S/C11H13N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-8,11-12H,2H2,1H3
InChIKeyJEVWCRBVJXFFEB-UHFFFAOYSA-N
XLogP0.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dihydroisoquinoline?
The IUPAC name of 3-ethyl-2,3-dihydroisoquinoline (CID 143250945) is 3-ethyl-2,3-dihydroisoquinoline.
What is the SMILES notation for 3-ethyl-2,3-dihydroisoquinoline?
The canonical SMILES for 3-ethyl-2,3-dihydroisoquinoline is CCC1C=c2ccccc2=CN1.
What is the InChIKey of 3-ethyl-2,3-dihydroisoquinoline?
The InChIKey is JEVWCRBVJXFFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-8,11-12H,2H2,1H3.
What are the key properties of 3-ethyl-2,3-dihydroisoquinoline?
3-ethyl-2,3-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dihydroisoquinoline is sourced from PubChem (CID 143250945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).