2-ethenyl-N-methylisoquinolin-3-imine

C12H12N2 — CID 118303833

IUPAC2-ethenyl-N-methylisoquinolin-3-imine
SMILESC=Cn1cc2ccccc2c/c1=N\C
InChIInChI=1S/C12H12N2/c1-3-14-9-11-7-5-4-6-10(11)8-12(14)13-2/h3-9H,1H2,2H3/b13-12+
InChIKeyQWFZAOYIMGWTHD-OUKQBFOZSA-N
MW184.24 g/mol
LogP2.27
Rot. Bonds1

About 2-ethenyl-N-methylisoquinolin-3-imine

2-ethenyl-N-methylisoquinolin-3-imine (PubChem CID 118303833) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-ethenyl-N-methylisoquinolin-3-imine.

Molecular Properties

Compound Name2-ethenyl-N-methylisoquinolin-3-imine
PubChem CID118303833
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-ethenyl-N-methylisoquinolin-3-imine
SMILESC=Cn1cc2ccccc2c/c1=N\C
InChIInChI=1S/C12H12N2/c1-3-14-9-11-7-5-4-6-10(11)8-12(14)13-2/h3-9H,1H2,2H3/b13-12+
InChIKeyQWFZAOYIMGWTHD-OUKQBFOZSA-N
XLogP2.27
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-methylisoquinolin-3-imine?
The IUPAC name of 2-ethenyl-N-methylisoquinolin-3-imine (CID 118303833) is 2-ethenyl-N-methylisoquinolin-3-imine.
What is the SMILES notation for 2-ethenyl-N-methylisoquinolin-3-imine?
The canonical SMILES for 2-ethenyl-N-methylisoquinolin-3-imine is C=Cn1cc2ccccc2c/c1=N\C.
What is the InChIKey of 2-ethenyl-N-methylisoquinolin-3-imine?
The InChIKey is QWFZAOYIMGWTHD-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-14-9-11-7-5-4-6-10(11)8-12(14)13-2/h3-9H,1H2,2H3/b13-12+.
What are the key properties of 2-ethenyl-N-methylisoquinolin-3-imine?
2-ethenyl-N-methylisoquinolin-3-imine has a molecular weight of 184.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-methylisoquinolin-3-imine is sourced from PubChem (CID 118303833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).