4-methyl-4a,5-dihydroisoquinoline

C10H11N — CID 88988452

IUPAC4-methyl-4a,5-dihydroisoquinoline
SMILESCC1=CN=CC2=CC=CCC12
InChIInChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-4,6-7,10H,5H2,1H3
InChIKeyARAUYRAGVVFPDF-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds

About 4-methyl-4a,5-dihydroisoquinoline

4-methyl-4a,5-dihydroisoquinoline (PubChem CID 88988452) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-methyl-4a,5-dihydroisoquinoline.

Molecular Properties

Compound Name4-methyl-4a,5-dihydroisoquinoline
PubChem CID88988452
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4-methyl-4a,5-dihydroisoquinoline
SMILESCC1=CN=CC2=CC=CCC12
InChIInChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-4,6-7,10H,5H2,1H3
InChIKeyARAUYRAGVVFPDF-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-4a,5-dihydroisoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4a,5-dihydroisoquinoline?
The IUPAC name of 4-methyl-4a,5-dihydroisoquinoline (CID 88988452) is 4-methyl-4a,5-dihydroisoquinoline.
What is the SMILES notation for 4-methyl-4a,5-dihydroisoquinoline?
The canonical SMILES for 4-methyl-4a,5-dihydroisoquinoline is CC1=CN=CC2=CC=CCC12.
What is the InChIKey of 4-methyl-4a,5-dihydroisoquinoline?
The InChIKey is ARAUYRAGVVFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-4,6-7,10H,5H2,1H3.
What are the key properties of 4-methyl-4a,5-dihydroisoquinoline?
4-methyl-4a,5-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4a,5-dihydroisoquinoline is sourced from PubChem (CID 88988452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).