1-prop-1-enoxyquinolin-2-one

C12H11NO2 — CID 70580898

IUPAC1-prop-1-enoxyquinolin-2-one
SMILESCC=COn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H11NO2/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h2-9H,1H3
InChIKeyGTICQEXOEKYWSC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.96
Rot. Bonds2

About 1-prop-1-enoxyquinolin-2-one

1-prop-1-enoxyquinolin-2-one (PubChem CID 70580898) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-prop-1-enoxyquinolin-2-one.

Molecular Properties

Compound Name1-prop-1-enoxyquinolin-2-one
PubChem CID70580898
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-prop-1-enoxyquinolin-2-one
SMILESCC=COn1c(=O)ccc2ccccc21
InChIInChI=1S/C12H11NO2/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h2-9H,1H3
InChIKeyGTICQEXOEKYWSC-UHFFFAOYSA-N
XLogP1.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-enoxyquinolin-2-one?
The IUPAC name of 1-prop-1-enoxyquinolin-2-one (CID 70580898) is 1-prop-1-enoxyquinolin-2-one.
What is the SMILES notation for 1-prop-1-enoxyquinolin-2-one?
The canonical SMILES for 1-prop-1-enoxyquinolin-2-one is CC=COn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-prop-1-enoxyquinolin-2-one?
The InChIKey is GTICQEXOEKYWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-9-15-13-11-6-4-3-5-10(11)7-8-12(13)14/h2-9H,1H3.
What are the key properties of 1-prop-1-enoxyquinolin-2-one?
1-prop-1-enoxyquinolin-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-enoxyquinolin-2-one is sourced from PubChem (CID 70580898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).