3-methyl-2,3-dihydroisoquinoline

C10H11N — CID 88576383

IUPAC3-methyl-2,3-dihydroisoquinoline
SMILESCC1C=c2ccccc2=CN1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-8,11H,1H3
InChIKeyGOESITQQNQPIDB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.20
Rot. Bonds

About 3-methyl-2,3-dihydroisoquinoline

3-methyl-2,3-dihydroisoquinoline (PubChem CID 88576383) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-methyl-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name3-methyl-2,3-dihydroisoquinoline
PubChem CID88576383
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-methyl-2,3-dihydroisoquinoline
SMILESCC1C=c2ccccc2=CN1
InChIInChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-8,11H,1H3
InChIKeyGOESITQQNQPIDB-UHFFFAOYSA-N
XLogP0.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydroisoquinoline?
The IUPAC name of 3-methyl-2,3-dihydroisoquinoline (CID 88576383) is 3-methyl-2,3-dihydroisoquinoline.
What is the SMILES notation for 3-methyl-2,3-dihydroisoquinoline?
The canonical SMILES for 3-methyl-2,3-dihydroisoquinoline is CC1C=c2ccccc2=CN1.
What is the InChIKey of 3-methyl-2,3-dihydroisoquinoline?
The InChIKey is GOESITQQNQPIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-8,11H,1H3.
What are the key properties of 3-methyl-2,3-dihydroisoquinoline?
3-methyl-2,3-dihydroisoquinoline has a molecular weight of 145.20 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydroisoquinoline is sourced from PubChem (CID 88576383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).