7-methyl-3,4-dihydroisoquinoline

C10H11N — CID 19748150

IUPAC7-methyl-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C=NCC2
InChIInChI=1S/C10H11N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6-7H,4-5H2,1H3
InChIKeyLEKVTJWRUHJMGO-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.97
Rot. Bonds

About 7-methyl-3,4-dihydroisoquinoline

7-methyl-3,4-dihydroisoquinoline (PubChem CID 19748150) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 7-methyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-methyl-3,4-dihydroisoquinoline
PubChem CID19748150
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name7-methyl-3,4-dihydroisoquinoline
SMILESCc1ccc2c(c1)C=NCC2
InChIInChI=1S/C10H11N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6-7H,4-5H2,1H3
InChIKeyLEKVTJWRUHJMGO-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydroisoquinoline?
The IUPAC name of 7-methyl-3,4-dihydroisoquinoline (CID 19748150) is 7-methyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-methyl-3,4-dihydroisoquinoline?
The canonical SMILES for 7-methyl-3,4-dihydroisoquinoline is Cc1ccc2c(c1)C=NCC2.
What is the InChIKey of 7-methyl-3,4-dihydroisoquinoline?
The InChIKey is LEKVTJWRUHJMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-methyl-3,4-dihydroisoquinoline?
7-methyl-3,4-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 19748150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).