6-hydroxy-1-prop-2-enylquinolin-2-one

C12H11NO2 — CID 45117451

IUPAC6-hydroxy-1-prop-2-enylquinolin-2-one
SMILESC=CCn1c(=O)ccc2cc(O)ccc21
InChIInChI=1S/C12H11NO2/c1-2-7-13-11-5-4-10(14)8-9(11)3-6-12(13)15/h2-6,8,14H,1,7H2
InChIKeyLDGXAMXWBXAUNU-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.89
Rot. Bonds2

About 6-hydroxy-1-prop-2-enylquinolin-2-one

6-hydroxy-1-prop-2-enylquinolin-2-one (PubChem CID 45117451) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-hydroxy-1-prop-2-enylquinolin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-prop-2-enylquinolin-2-one
PubChem CID45117451
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6-hydroxy-1-prop-2-enylquinolin-2-one
SMILESC=CCn1c(=O)ccc2cc(O)ccc21
InChIInChI=1S/C12H11NO2/c1-2-7-13-11-5-4-10(14)8-9(11)3-6-12(13)15/h2-6,8,14H,1,7H2
InChIKeyLDGXAMXWBXAUNU-UHFFFAOYSA-N
XLogP1.89
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-prop-2-enylquinolin-2-one?
The IUPAC name of 6-hydroxy-1-prop-2-enylquinolin-2-one (CID 45117451) is 6-hydroxy-1-prop-2-enylquinolin-2-one.
What is the SMILES notation for 6-hydroxy-1-prop-2-enylquinolin-2-one?
The canonical SMILES for 6-hydroxy-1-prop-2-enylquinolin-2-one is C=CCn1c(=O)ccc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-1-prop-2-enylquinolin-2-one?
The InChIKey is LDGXAMXWBXAUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-7-13-11-5-4-10(14)8-9(11)3-6-12(13)15/h2-6,8,14H,1,7H2.
What are the key properties of 6-hydroxy-1-prop-2-enylquinolin-2-one?
6-hydroxy-1-prop-2-enylquinolin-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-prop-2-enylquinolin-2-one is sourced from PubChem (CID 45117451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).