methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate

C10H9NO4 — CID 59314565

IUPACmethyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate
SMILESCOC(=O)C(=O)/C=C(\O)c1ccncc1
InChIInChI=1S/C10H9NO4/c1-15-10(14)9(13)6-8(12)7-2-4-11-5-3-7/h2-6,12H,1H3/b8-6-
InChIKeyWXXXWANHJZSDET-VURMDHGXSA-N
MW207.19 g/mol
LogP0.72
Rot. Bonds3

About methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate

methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate (PubChem CID 59314565) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate
PubChem CID59314565
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Namemethyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate
SMILESCOC(=O)C(=O)/C=C(\O)c1ccncc1
InChIInChI=1S/C10H9NO4/c1-15-10(14)9(13)6-8(12)7-2-4-11-5-3-7/h2-6,12H,1H3/b8-6-
InChIKeyWXXXWANHJZSDET-VURMDHGXSA-N
XLogP0.72
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-4-hydroxy-4-(4-hydroxyphenyl)-2-oxobut-3-enoate
CID 6917291
methyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate;hydrate
CID 45047648
methyl (Z)-4-(4-ethylsulfonylphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82550643
ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
CID 54710377
methyl 4-(3-bromophenyl)-4-hydroxy-2-oxobut-3-enoate
CID 7147511
methyl (Z)-4-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82550833
methyl (Z)-4-[4-(dibenzylamino)phenyl]-4-hydroxy-2-oxobut-3-enoate
CID 11025799
methyl (Z)-4-(3,5-dichloro-4-methoxyphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82550762
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
methyl 3-pyridin-4-ylbut-2-enoate
CID 134690655
methyl (Z)-4-[3-(difluoromethoxy)phenyl]-4-hydroxy-2-oxobut-3-enoate
CID 89262443
propan-2-yl (Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoate
CID 82627877

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate?
The IUPAC name of methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate (CID 59314565) is methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate.
What is the SMILES notation for methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate?
The canonical SMILES for methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate is COC(=O)C(=O)/C=C(\O)c1ccncc1.
What is the InChIKey of methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate?
The InChIKey is WXXXWANHJZSDET-VURMDHGXSA-N. The full InChI is InChI=1S/C10H9NO4/c1-15-10(14)9(13)6-8(12)7-2-4-11-5-3-7/h2-6,12H,1H3/b8-6-.
What are the key properties of methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate?
methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate has a molecular weight of 207.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate is sourced from PubChem (CID 59314565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).