6-ethenyl-2-methylisoquinolin-1-one

C12H11NO — CID 154656300

IUPAC6-ethenyl-2-methylisoquinolin-1-one
SMILESC=Cc1ccc2c(=O)n(C)ccc2c1
InChIInChI=1S/C12H11NO/c1-3-9-4-5-11-10(8-9)6-7-13(2)12(11)14/h3-8H,1H2,2H3
InChIKeyLXVFTFZIANFCNC-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.18
Rot. Bonds1

About 6-ethenyl-2-methylisoquinolin-1-one

6-ethenyl-2-methylisoquinolin-1-one (PubChem CID 154656300) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 6-ethenyl-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name6-ethenyl-2-methylisoquinolin-1-one
PubChem CID154656300
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name6-ethenyl-2-methylisoquinolin-1-one
SMILESC=Cc1ccc2c(=O)n(C)ccc2c1
InChIInChI=1S/C12H11NO/c1-3-9-4-5-11-10(8-9)6-7-13(2)12(11)14/h3-8H,1H2,2H3
InChIKeyLXVFTFZIANFCNC-UHFFFAOYSA-N
XLogP2.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-methylisoquinolin-1-one?
The IUPAC name of 6-ethenyl-2-methylisoquinolin-1-one (CID 154656300) is 6-ethenyl-2-methylisoquinolin-1-one.
What is the SMILES notation for 6-ethenyl-2-methylisoquinolin-1-one?
The canonical SMILES for 6-ethenyl-2-methylisoquinolin-1-one is C=Cc1ccc2c(=O)n(C)ccc2c1.
What is the InChIKey of 6-ethenyl-2-methylisoquinolin-1-one?
The InChIKey is LXVFTFZIANFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-9-4-5-11-10(8-9)6-7-13(2)12(11)14/h3-8H,1H2,2H3.
What are the key properties of 6-ethenyl-2-methylisoquinolin-1-one?
6-ethenyl-2-methylisoquinolin-1-one has a molecular weight of 185.23 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-methylisoquinolin-1-one is sourced from PubChem (CID 154656300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).