4-methyl-1,8a-dihydroisoquinoline

C10H11N — CID 123563333

IUPAC4-methyl-1,8a-dihydroisoquinoline
SMILESCC1=C2C=CC=CC2CN=C1
InChIInChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-6,9H,7H2,1H3
InChIKeyUQFPCWQXBIMNJX-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.13
Rot. Bonds

About 4-methyl-1,8a-dihydroisoquinoline

4-methyl-1,8a-dihydroisoquinoline (PubChem CID 123563333) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-methyl-1,8a-dihydroisoquinoline.

Molecular Properties

Compound Name4-methyl-1,8a-dihydroisoquinoline
PubChem CID123563333
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name4-methyl-1,8a-dihydroisoquinoline
SMILESCC1=C2C=CC=CC2CN=C1
InChIInChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-6,9H,7H2,1H3
InChIKeyUQFPCWQXBIMNJX-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,8a-dihydroisoquinoline?
The IUPAC name of 4-methyl-1,8a-dihydroisoquinoline (CID 123563333) is 4-methyl-1,8a-dihydroisoquinoline.
What is the SMILES notation for 4-methyl-1,8a-dihydroisoquinoline?
The canonical SMILES for 4-methyl-1,8a-dihydroisoquinoline is CC1=C2C=CC=CC2CN=C1.
What is the InChIKey of 4-methyl-1,8a-dihydroisoquinoline?
The InChIKey is UQFPCWQXBIMNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-11-7-9-4-2-3-5-10(8)9/h2-6,9H,7H2,1H3.
What are the key properties of 4-methyl-1,8a-dihydroisoquinoline?
4-methyl-1,8a-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,8a-dihydroisoquinoline is sourced from PubChem (CID 123563333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).