1,7-dimethyl-1,8a-dihydroisoquinoline

C11H13N — CID 130184066

IUPAC1,7-dimethyl-1,8a-dihydroisoquinoline
SMILESCC1=CC2C(=CC=NC2C)C=C1
InChIInChI=1S/C11H13N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h3-7,9,11H,1-2H3
InChIKeyDCAORWFEHBKESR-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.52
Rot. Bonds

About 1,7-dimethyl-1,8a-dihydroisoquinoline

1,7-dimethyl-1,8a-dihydroisoquinoline (PubChem CID 130184066) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,7-dimethyl-1,8a-dihydroisoquinoline.

Molecular Properties

Compound Name1,7-dimethyl-1,8a-dihydroisoquinoline
PubChem CID130184066
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,7-dimethyl-1,8a-dihydroisoquinoline
SMILESCC1=CC2C(=CC=NC2C)C=C1
InChIInChI=1S/C11H13N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h3-7,9,11H,1-2H3
InChIKeyDCAORWFEHBKESR-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,8a-dihydroisoquinoline?
The IUPAC name of 1,7-dimethyl-1,8a-dihydroisoquinoline (CID 130184066) is 1,7-dimethyl-1,8a-dihydroisoquinoline.
What is the SMILES notation for 1,7-dimethyl-1,8a-dihydroisoquinoline?
The canonical SMILES for 1,7-dimethyl-1,8a-dihydroisoquinoline is CC1=CC2C(=CC=NC2C)C=C1.
What is the InChIKey of 1,7-dimethyl-1,8a-dihydroisoquinoline?
The InChIKey is DCAORWFEHBKESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-3-4-10-5-6-12-9(2)11(10)7-8/h3-7,9,11H,1-2H3.
What are the key properties of 1,7-dimethyl-1,8a-dihydroisoquinoline?
1,7-dimethyl-1,8a-dihydroisoquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-1,8a-dihydroisoquinoline is sourced from PubChem (CID 130184066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).