2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate

C13H17NO3 — CID 54028244

IUPAC2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCn1c(C)cc(C)cc1=O
InChIInChI=1S/C13H17NO3/c1-9(2)13(16)17-6-5-14-11(4)7-10(3)8-12(14)15/h7-8H,1,5-6H2,2-4H3
InChIKeyLDSSJEZJISYYHM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.58
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate

2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate (PubChem CID 54028244) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate
PubChem CID54028244
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCn1c(C)cc(C)cc1=O
InChIInChI=1S/C13H17NO3/c1-9(2)13(16)17-6-5-14-11(4)7-10(3)8-12(14)15/h7-8H,1,5-6H2,2-4H3
InChIKeyLDSSJEZJISYYHM-UHFFFAOYSA-N
XLogP1.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate (CID 54028244) is 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCn1c(C)cc(C)cc1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate?
The InChIKey is LDSSJEZJISYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)13(16)17-6-5-14-11(4)7-10(3)8-12(14)15/h7-8H,1,5-6H2,2-4H3.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate?
2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate has a molecular weight of 235.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54028244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).