5-methyl-4a,5-dihydroisoquinoline

C10H11N — CID 90748969

IUPAC5-methyl-4a,5-dihydroisoquinoline
SMILESCC1C=CC=C2C=NC=CC21
InChIInChI=1S/C10H11N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-8,10H,1H3
InChIKeyZJVCKHZDXOKWSC-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.33
Rot. Bonds

About 5-methyl-4a,5-dihydroisoquinoline

5-methyl-4a,5-dihydroisoquinoline (PubChem CID 90748969) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-methyl-4a,5-dihydroisoquinoline.

Molecular Properties

Compound Name5-methyl-4a,5-dihydroisoquinoline
PubChem CID90748969
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name5-methyl-4a,5-dihydroisoquinoline
SMILESCC1C=CC=C2C=NC=CC21
InChIInChI=1S/C10H11N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-8,10H,1H3
InChIKeyZJVCKHZDXOKWSC-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4a,5-dihydroisoquinoline?
The IUPAC name of 5-methyl-4a,5-dihydroisoquinoline (CID 90748969) is 5-methyl-4a,5-dihydroisoquinoline.
What is the SMILES notation for 5-methyl-4a,5-dihydroisoquinoline?
The canonical SMILES for 5-methyl-4a,5-dihydroisoquinoline is CC1C=CC=C2C=NC=CC21.
What is the InChIKey of 5-methyl-4a,5-dihydroisoquinoline?
The InChIKey is ZJVCKHZDXOKWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-8,10H,1H3.
What are the key properties of 5-methyl-4a,5-dihydroisoquinoline?
5-methyl-4a,5-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4a,5-dihydroisoquinoline is sourced from PubChem (CID 90748969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).