3-ethyl-1,2-dihydroisoquinoline

C11H13N — CID 134891256

IUPAC3-ethyl-1,2-dihydroisoquinoline
SMILESCCC1=Cc2ccccc2CN1
InChIInChI=1S/C11H13N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-7,12H,2,8H2,1H3
InChIKeyWDVHLFBKCAHUFG-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.54
Rot. Bonds1

About 3-ethyl-1,2-dihydroisoquinoline

3-ethyl-1,2-dihydroisoquinoline (PubChem CID 134891256) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-ethyl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-1,2-dihydroisoquinoline
PubChem CID134891256
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name3-ethyl-1,2-dihydroisoquinoline
SMILESCCC1=Cc2ccccc2CN1
InChIInChI=1S/C11H13N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-7,12H,2,8H2,1H3
InChIKeyWDVHLFBKCAHUFG-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dihydroisoquinoline?
The IUPAC name of 3-ethyl-1,2-dihydroisoquinoline (CID 134891256) is 3-ethyl-1,2-dihydroisoquinoline.
What is the SMILES notation for 3-ethyl-1,2-dihydroisoquinoline?
The canonical SMILES for 3-ethyl-1,2-dihydroisoquinoline is CCC1=Cc2ccccc2CN1.
What is the InChIKey of 3-ethyl-1,2-dihydroisoquinoline?
The InChIKey is WDVHLFBKCAHUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-11-7-9-5-3-4-6-10(9)8-12-11/h3-7,12H,2,8H2,1H3.
What are the key properties of 3-ethyl-1,2-dihydroisoquinoline?
3-ethyl-1,2-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dihydroisoquinoline is sourced from PubChem (CID 134891256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).