2-ethoxy-2-methyl-1-propylpyridine-3,4-dione

C11H17NO3 — CID 45094232

IUPAC2-ethoxy-2-methyl-1-propylpyridine-3,4-dione
SMILESCCCN1C=CC(=O)C(=O)C1(C)OCC
InChIInChI=1S/C11H17NO3/c1-4-7-12-8-6-9(13)10(14)11(12,3)15-5-2/h6,8H,4-5,7H2,1-3H3
InChIKeyBBEBCEKUOHCEMF-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds4

About 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione

2-ethoxy-2-methyl-1-propylpyridine-3,4-dione (PubChem CID 45094232) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-propylpyridine-3,4-dione
PubChem CID45094232
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-ethoxy-2-methyl-1-propylpyridine-3,4-dione
SMILESCCCN1C=CC(=O)C(=O)C1(C)OCC
InChIInChI=1S/C11H17NO3/c1-4-7-12-8-6-9(13)10(14)11(12,3)15-5-2/h6,8H,4-5,7H2,1-3H3
InChIKeyBBEBCEKUOHCEMF-UHFFFAOYSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione?
The IUPAC name of 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione (CID 45094232) is 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione.
What is the SMILES notation for 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione?
The canonical SMILES for 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione is CCCN1C=CC(=O)C(=O)C1(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione?
The InChIKey is BBEBCEKUOHCEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-7-12-8-6-9(13)10(14)11(12,3)15-5-2/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione?
2-ethoxy-2-methyl-1-propylpyridine-3,4-dione has a molecular weight of 211.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-propylpyridine-3,4-dione is sourced from PubChem (CID 45094232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).