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

C12H15NO3 — CID 54121706

IUPAC2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c(C)cc(C)cc1=O
InChIInChI=1S/C12H15NO3/c1-4-12(15)16-6-5-13-10(3)7-9(2)8-11(13)14/h4,7-8H,1,5-6H2,2-3H3
InChIKeyNOECNIDWLSMQNB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.19
Rot. Bonds4

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

2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate (PubChem CID 54121706) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate
PubChem CID54121706
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c(C)cc(C)cc1=O
InChIInChI=1S/C12H15NO3/c1-4-12(15)16-6-5-13-10(3)7-9(2)8-11(13)14/h4,7-8H,1,5-6H2,2-3H3
InChIKeyNOECNIDWLSMQNB-UHFFFAOYSA-N
XLogP1.19
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate 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 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate (CID 54121706) is 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate is C=CC(=O)OCCn1c(C)cc(C)cc1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate?
The InChIKey is NOECNIDWLSMQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-4-12(15)16-6-5-13-10(3)7-9(2)8-11(13)14/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate?
2-(2,4-dimethyl-6-oxo-1-pyridinyl)ethyl prop-2-enoate has a molecular weight of 221.26 g/mol, XLogP of 1.19, 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 prop-2-enoate is sourced from PubChem (CID 54121706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).