1-ethenylquinolin-4-one

C11H9NO — CID 3054473

IUPAC1-ethenylquinolin-4-one
SMILESC=Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C11H9NO/c1-2-12-8-7-11(13)9-5-3-4-6-10(9)12/h2-8H,1H2
InChIKeyRFQOREXGPLJRCO-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.10
Rot. Bonds1

About 1-ethenylquinolin-4-one

1-ethenylquinolin-4-one (PubChem CID 3054473) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-ethenylquinolin-4-one.

Molecular Properties

Compound Name1-ethenylquinolin-4-one
PubChem CID3054473
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-ethenylquinolin-4-one
SMILESC=Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C11H9NO/c1-2-12-8-7-11(13)9-5-3-4-6-10(9)12/h2-8H,1H2
InChIKeyRFQOREXGPLJRCO-UHFFFAOYSA-N
XLogP2.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylquinolin-4-one?
The IUPAC name of 1-ethenylquinolin-4-one (CID 3054473) is 1-ethenylquinolin-4-one.
What is the SMILES notation for 1-ethenylquinolin-4-one?
The canonical SMILES for 1-ethenylquinolin-4-one is C=Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-ethenylquinolin-4-one?
The InChIKey is RFQOREXGPLJRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-12-8-7-11(13)9-5-3-4-6-10(9)12/h2-8H,1H2.
What are the key properties of 1-ethenylquinolin-4-one?
1-ethenylquinolin-4-one has a molecular weight of 171.20 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylquinolin-4-one is sourced from PubChem (CID 3054473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).