2,3-dihydroisoquinoline

C9H9N — CID 4961379

IUPAC2,3-dihydroisoquinoline
SMILESC1=c2ccccc2=CNC1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-5,7,10H,6H2
InChIKeyFZWSBCNMDDULHX-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.19
Rot. Bonds

About 2,3-dihydroisoquinoline

2,3-dihydroisoquinoline (PubChem CID 4961379) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 2,3-dihydroisoquinoline.

Molecular Properties

Compound Name2,3-dihydroisoquinoline
PubChem CID4961379
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name2,3-dihydroisoquinoline
SMILESC1=c2ccccc2=CNC1
InChIInChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-5,7,10H,6H2
InChIKeyFZWSBCNMDDULHX-UHFFFAOYSA-N
XLogP-0.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroisoquinoline?
The IUPAC name of 2,3-dihydroisoquinoline (CID 4961379) is 2,3-dihydroisoquinoline.
What is the SMILES notation for 2,3-dihydroisoquinoline?
The canonical SMILES for 2,3-dihydroisoquinoline is C1=c2ccccc2=CNC1.
What is the InChIKey of 2,3-dihydroisoquinoline?
The InChIKey is FZWSBCNMDDULHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-5,7,10H,6H2.
What are the key properties of 2,3-dihydroisoquinoline?
2,3-dihydroisoquinoline has a molecular weight of 131.18 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroisoquinoline is sourced from PubChem (CID 4961379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).