(6S)-6-methyl-6,7-dihydroisoquinoline

C10H11N — CID 89024028

IUPAC(6S)-6-methyl-6,7-dihydroisoquinoline
SMILESC[C@@H]1C=c2ccncc2=CC1
InChIInChI=1S/C10H11N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h3-8H,2H2,1H3/t8-/m0/s1
InChIKeyHESMYVHAGTVECR-QMMMGPOBSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds

About (6S)-6-methyl-6,7-dihydroisoquinoline

(6S)-6-methyl-6,7-dihydroisoquinoline (PubChem CID 89024028) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is (6S)-6-methyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name(6S)-6-methyl-6,7-dihydroisoquinoline
PubChem CID89024028
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name(6S)-6-methyl-6,7-dihydroisoquinoline
SMILESC[C@@H]1C=c2ccncc2=CC1
InChIInChI=1S/C10H11N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h3-8H,2H2,1H3/t8-/m0/s1
InChIKeyHESMYVHAGTVECR-QMMMGPOBSA-N
XLogP0.68
TPSA12.89 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 ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6S)-6-methyl-6,7-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 (6S)-6-methyl-6,7-dihydroisoquinoline?
The IUPAC name of (6S)-6-methyl-6,7-dihydroisoquinoline (CID 89024028) is (6S)-6-methyl-6,7-dihydroisoquinoline.
What is the SMILES notation for (6S)-6-methyl-6,7-dihydroisoquinoline?
The canonical SMILES for (6S)-6-methyl-6,7-dihydroisoquinoline is C[C@@H]1C=c2ccncc2=CC1.
What is the InChIKey of (6S)-6-methyl-6,7-dihydroisoquinoline?
The InChIKey is HESMYVHAGTVECR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h3-8H,2H2,1H3/t8-/m0/s1.
What are the key properties of (6S)-6-methyl-6,7-dihydroisoquinoline?
(6S)-6-methyl-6,7-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 89024028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).