5,7-dimethyl-6,7-dihydroisoquinoline

C11H13N — CID 89495204

IUPAC5,7-dimethyl-6,7-dihydroisoquinoline
SMILESCC1=c2ccncc2=CC(C)C1
InChIInChI=1S/C11H13N/c1-8-5-9(2)11-3-4-12-7-10(11)6-8/h3-4,6-8H,5H2,1-2H3
InChIKeySMUHIZGLRKLQKY-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds

About 5,7-dimethyl-6,7-dihydroisoquinoline

5,7-dimethyl-6,7-dihydroisoquinoline (PubChem CID 89495204) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5,7-dimethyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name5,7-dimethyl-6,7-dihydroisoquinoline
PubChem CID89495204
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5,7-dimethyl-6,7-dihydroisoquinoline
SMILESCC1=c2ccncc2=CC(C)C1
InChIInChI=1S/C11H13N/c1-8-5-9(2)11-3-4-12-7-10(11)6-8/h3-4,6-8H,5H2,1-2H3
InChIKeySMUHIZGLRKLQKY-UHFFFAOYSA-N
XLogP1.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6,7-dihydroisoquinoline?
The IUPAC name of 5,7-dimethyl-6,7-dihydroisoquinoline (CID 89495204) is 5,7-dimethyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 5,7-dimethyl-6,7-dihydroisoquinoline?
The canonical SMILES for 5,7-dimethyl-6,7-dihydroisoquinoline is CC1=c2ccncc2=CC(C)C1.
What is the InChIKey of 5,7-dimethyl-6,7-dihydroisoquinoline?
The InChIKey is SMUHIZGLRKLQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-5-9(2)11-3-4-12-7-10(11)6-8/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 5,7-dimethyl-6,7-dihydroisoquinoline?
5,7-dimethyl-6,7-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 89495204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).