methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate

C10H11NO3 — CID 6390670

IUPACmethyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(C)=C/n1ccccc1=O
InChIInChI=1S/C10H11NO3/c1-8(10(13)14-2)7-11-6-4-3-5-9(11)12/h3-7H,1-2H3/b8-7+
InChIKeyLHFWBJWQSQFBGW-BQYQJAHWSA-N
MW193.20 g/mol
LogP0.88
Rot. Bonds2

About methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate

methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate (PubChem CID 6390670) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate
PubChem CID6390670
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(C)=C/n1ccccc1=O
InChIInChI=1S/C10H11NO3/c1-8(10(13)14-2)7-11-6-4-3-5-9(11)12/h3-7H,1-2H3/b8-7+
InChIKeyLHFWBJWQSQFBGW-BQYQJAHWSA-N
XLogP0.88
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)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 methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate (CID 6390670) is methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate is COC(=O)/C(C)=C/n1ccccc1=O.
What is the InChIKey of methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate?
The InChIKey is LHFWBJWQSQFBGW-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(10(13)14-2)7-11-6-4-3-5-9(11)12/h3-7H,1-2H3/b8-7+.
What are the key properties of methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate?
methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-3-(2-oxo-1-pyridinyl)prop-2-enoate is sourced from PubChem (CID 6390670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).