prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate

C13H11NO3 — CID 67639122

IUPACprop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
SMILESC=CCOC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C13H11NO3/c1-2-7-17-13(16)11-8-12(15)9-5-3-4-6-10(9)14-11/h2-6,8H,1,7H2,(H,14,15)
InChIKeyKRLNBAQTOONGII-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.87
Rot. Bonds3

About prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate

prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate (PubChem CID 67639122) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
PubChem CID67639122
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Nameprop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
SMILESC=CCOC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C13H11NO3/c1-2-7-17-13(16)11-8-12(15)9-5-3-4-6-10(9)14-11/h2-6,8H,1,7H2,(H,14,15)
InChIKeyKRLNBAQTOONGII-UHFFFAOYSA-N
XLogP1.87
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.87
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 prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate (CID 67639122) is prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate is C=CCOC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is KRLNBAQTOONGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-2-7-17-13(16)11-8-12(15)9-5-3-4-6-10(9)14-11/h2-6,8H,1,7H2,(H,14,15).
What are the key properties of prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate?
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 67639122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).