ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate

C14H19NO4 — CID 113369758

IUPACethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate
SMILESCCOC(=O)C(C)(C)C(=O)Cn1c(C)cccc1=O
InChIInChI=1S/C14H19NO4/c1-5-19-13(18)14(3,4)11(16)9-15-10(2)7-6-8-12(15)17/h6-8H,5,9H2,1-4H3
InChIKeyQPCRNLVDNXJSCM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.32
Rot. Bonds5

About ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate

ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate (PubChem CID 113369758) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate
PubChem CID113369758
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate
SMILESCCOC(=O)C(C)(C)C(=O)Cn1c(C)cccc1=O
InChIInChI=1S/C14H19NO4/c1-5-19-13(18)14(3,4)11(16)9-15-10(2)7-6-8-12(15)17/h6-8H,5,9H2,1-4H3
InChIKeyQPCRNLVDNXJSCM-UHFFFAOYSA-N
XLogP1.32
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate?
The IUPAC name of ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate (CID 113369758) is ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate?
The canonical SMILES for ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate is CCOC(=O)C(C)(C)C(=O)Cn1c(C)cccc1=O.
What is the InChIKey of ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate?
The InChIKey is QPCRNLVDNXJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-19-13(18)14(3,4)11(16)9-15-10(2)7-6-8-12(15)17/h6-8H,5,9H2,1-4H3.
What are the key properties of ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate?
ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate has a molecular weight of 265.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-4-(2-methyl-6-oxo-1-pyridinyl)-3-oxobutanoate is sourced from PubChem (CID 113369758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).