2-deuterio-3,4-dihydro-1H-isoquinoline

C9H11N — CID 175814685

IUPAC2-deuterio-3,4-dihydro-1H-isoquinoline
SMILES[2H]N1CCc2ccccc2C1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2/i/hD
InChIKeyUWYZHKAOTLEWKK-DYCDLGHISA-N
MW134.20 g/mol
LogP1.33
Rot. Bonds

About 2-deuterio-3,4-dihydro-1H-isoquinoline

2-deuterio-3,4-dihydro-1H-isoquinoline (PubChem CID 175814685) has the molecular formula C9H11N and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-deuterio-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-deuterio-3,4-dihydro-1H-isoquinoline
PubChem CID175814685
Molecular FormulaC9H11N
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name2-deuterio-3,4-dihydro-1H-isoquinoline
SMILES[2H]N1CCc2ccccc2C1
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2/i/hD
InChIKeyUWYZHKAOTLEWKK-DYCDLGHISA-N
XLogP1.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-deuterio-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
azepane;1,2,3,4-tetrahydroisoquinoline
CID 67675496
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
CID 175785291
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
1,2,3,5,6,7-hexahydro-3,5-benzodiazonin-4-one
CID 22722283
azane;2,3-dihydro-1H-isoindole
CID 23342931
benzene;2,3-dihydro-1H-isoindole
CID 161490745

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-deuterio-3,4-dihydro-1H-isoquinoline (CID 175814685) is 2-deuterio-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-deuterio-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-deuterio-3,4-dihydro-1H-isoquinoline is [2H]N1CCc2ccccc2C1.
What is the InChIKey of 2-deuterio-3,4-dihydro-1H-isoquinoline?
The InChIKey is UWYZHKAOTLEWKK-DYCDLGHISA-N. The full InChI is InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2/i/hD.
What are the key properties of 2-deuterio-3,4-dihydro-1H-isoquinoline?
2-deuterio-3,4-dihydro-1H-isoquinoline has a molecular weight of 134.20 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175814685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).