ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate

C10H11NO3 — CID 54710377

IUPACethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C=C(\O)c1ccncc1
InChIInChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-7,12H,2H2,1H3/b9-7-
InChIKeyGPYVLFUVJIHUSM-CLFYSBASSA-N
MW193.20 g/mol
LogP1.54
Rot. Bonds3

About ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate

ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate (PubChem CID 54710377) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
PubChem CID54710377
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C=C(\O)c1ccncc1
InChIInChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-7,12H,2H2,1H3/b9-7-
InChIKeyGPYVLFUVJIHUSM-CLFYSBASSA-N
XLogP1.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-pyridin-4-ylbut-2-enoate
CID 69315754
ethyl 3-hydroxy-3-(4-methylphenyl)prop-2-enoate
CID 71356233
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate
CID 170922843
ethyl 3-(3,4-difluorophenyl)-3-hydroxyprop-2-enoate
CID 170923412
ethyl 3-pyridin-3-ylbut-2-enoate
CID 54400359
ethyl 3-hydroxy-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170923978
methyl (Z)-4-hydroxy-2-oxo-4-pyridin-4-ylbut-3-enoate
CID 59314565
ethyl carbonochloridate;pyridine-4-carboxylic acid
CID 174781214
ethyl (Z)-3-(pyridin-4-ylmethylamino)but-2-enoate
CID 70578959
ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate
CID 135541155
ethyl 3-hydroxy-3-(3-propan-2-yloxyphenyl)prop-2-enoate
CID 170923420

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate (CID 54710377) is ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate is CCOC(=O)/C=C(\O)c1ccncc1.
What is the InChIKey of ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate?
The InChIKey is GPYVLFUVJIHUSM-CLFYSBASSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-7,12H,2H2,1H3/b9-7-.
What are the key properties of ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate?
ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate has a molecular weight of 193.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 54710377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).