2-methyl-6-methylideneisoquinoline

C11H11N — CID 23423830

IUPAC2-methyl-6-methylideneisoquinoline
SMILESC=c1ccc2c(c1)C=CN(C)C=2
InChIInChI=1S/C11H11N/c1-9-3-4-11-8-12(2)6-5-10(11)7-9/h3-8H,1H2,2H3
InChIKeyMKWIKUUSDXEKQM-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.75
Rot. Bonds

About 2-methyl-6-methylideneisoquinoline

2-methyl-6-methylideneisoquinoline (PubChem CID 23423830) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-methyl-6-methylideneisoquinoline.

Molecular Properties

Compound Name2-methyl-6-methylideneisoquinoline
PubChem CID23423830
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name2-methyl-6-methylideneisoquinoline
SMILESC=c1ccc2c(c1)C=CN(C)C=2
InChIInChI=1S/C11H11N/c1-9-3-4-11-8-12(2)6-5-10(11)7-9/h3-8H,1H2,2H3
InChIKeyMKWIKUUSDXEKQM-UHFFFAOYSA-N
XLogP0.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-6-methylideneisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylideneisoquinoline?
The IUPAC name of 2-methyl-6-methylideneisoquinoline (CID 23423830) is 2-methyl-6-methylideneisoquinoline.
What is the SMILES notation for 2-methyl-6-methylideneisoquinoline?
The canonical SMILES for 2-methyl-6-methylideneisoquinoline is C=c1ccc2c(c1)C=CN(C)C=2.
What is the InChIKey of 2-methyl-6-methylideneisoquinoline?
The InChIKey is MKWIKUUSDXEKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-9-3-4-11-8-12(2)6-5-10(11)7-9/h3-8H,1H2,2H3.
What are the key properties of 2-methyl-6-methylideneisoquinoline?
2-methyl-6-methylideneisoquinoline has a molecular weight of 157.22 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylideneisoquinoline is sourced from PubChem (CID 23423830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).