methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate

C10H11NO4 — CID 170500633

IUPACmethyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1c[nH]c(=O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-15-9(13)4-2-3-7-5-8(12)10(14)11-6-7/h2-3,5-6,12H,4H2,1H3,(H,11,14)
InChIKeyDWZJHJFMBIGZLZ-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.66
Rot. Bonds3

About methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate

methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate (PubChem CID 170500633) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate
PubChem CID170500633
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate
SMILESCOC(=O)CC=Cc1c[nH]c(=O)c(O)c1
InChIInChI=1S/C10H11NO4/c1-15-9(13)4-2-3-7-5-8(12)10(14)11-6-7/h2-3,5-6,12H,4H2,1H3,(H,11,14)
InChIKeyDWZJHJFMBIGZLZ-UHFFFAOYSA-N
XLogP0.66
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate?
The IUPAC name of methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate (CID 170500633) is methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate.
What is the SMILES notation for methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate?
The canonical SMILES for methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate is COC(=O)CC=Cc1c[nH]c(=O)c(O)c1.
What is the InChIKey of methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate?
The InChIKey is DWZJHJFMBIGZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-9(13)4-2-3-7-5-8(12)10(14)11-6-7/h2-3,5-6,12H,4H2,1H3,(H,11,14).
What are the key properties of methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate?
methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate has a molecular weight of 209.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-hydroxy-6-oxo-1H-pyridin-3-yl)but-3-enoate is sourced from PubChem (CID 170500633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).