methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate

C11H13NO3 — CID 170500661

IUPACmethyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1c[nH]c(=O)cc1C
InChIInChI=1S/C11H13NO3/c1-8-6-10(13)12-7-9(8)4-3-5-11(14)15-2/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyJVMRISHFHUZAMS-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.26
Rot. Bonds3

About methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate

methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate (PubChem CID 170500661) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate
PubChem CID170500661
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1c[nH]c(=O)cc1C
InChIInChI=1S/C11H13NO3/c1-8-6-10(13)12-7-9(8)4-3-5-11(14)15-2/h3-4,6-7H,5H2,1-2H3,(H,12,13)
InChIKeyJVMRISHFHUZAMS-UHFFFAOYSA-N
XLogP1.26
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate?
The IUPAC name of methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate (CID 170500661) is methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate.
What is the SMILES notation for methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate?
The canonical SMILES for methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate is COC(=O)CC=Cc1c[nH]c(=O)cc1C.
What is the InChIKey of methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate?
The InChIKey is JVMRISHFHUZAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-6-10(13)12-7-9(8)4-3-5-11(14)15-2/h3-4,6-7H,5H2,1-2H3,(H,12,13).
What are the key properties of methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate?
methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate has a molecular weight of 207.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-6-oxo-1H-pyridin-3-yl)but-3-enoate is sourced from PubChem (CID 170500661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).