prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate

C9H11NO3 — CID 153289711

IUPACprop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=CCC1=O
InChIInChI=1S/C9H11NO3/c1-2-7-13-9(12)10-6-4-3-5-8(10)11/h2-4H,1,5-7H2
InChIKeyUEZDKEALMYIDDZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.10
Rot. Bonds2

About prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate

prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate (PubChem CID 153289711) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate
PubChem CID153289711
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameprop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate
SMILESC=CCOC(=O)N1CC=CCC1=O
InChIInChI=1S/C9H11NO3/c1-2-7-13-9(12)10-6-4-3-5-8(10)11/h2-4H,1,5-7H2
InChIKeyUEZDKEALMYIDDZ-UHFFFAOYSA-N
XLogP1.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
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 6-oxo-2,5-dihydropyridine-1-carboxylate?
The IUPAC name of prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate (CID 153289711) is prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate?
The canonical SMILES for prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate is C=CCOC(=O)N1CC=CCC1=O.
What is the InChIKey of prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate?
The InChIKey is UEZDKEALMYIDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-7-13-9(12)10-6-4-3-5-8(10)11/h2-4H,1,5-7H2.
What are the key properties of prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate?
prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-oxo-2,5-dihydropyridine-1-carboxylate is sourced from PubChem (CID 153289711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).