ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate

C10H10N2O4 — CID 135541155

IUPACethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(N=O)=C(\O)c1ccncc1
InChIInChI=1S/C10H10N2O4/c1-2-16-10(14)8(12-15)9(13)7-3-5-11-6-4-7/h3-6,13H,2H2,1H3/b9-8+
InChIKeyXRGYRAQEKAEKFJ-CMDGGOBGSA-N
MW222.20 g/mol
LogP1.64
Rot. Bonds4

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

ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate (PubChem CID 135541155) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate
PubChem CID135541155
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Nameethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate
SMILESCCOC(=O)/C(N=O)=C(\O)c1ccncc1
InChIInChI=1S/C10H10N2O4/c1-2-16-10(14)8(12-15)9(13)7-3-5-11-6-4-7/h3-6,13H,2H2,1H3/b9-8+
InChIKeyXRGYRAQEKAEKFJ-CMDGGOBGSA-N
XLogP1.64
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (E)-3-hydroxy-3-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-2-nitrosoprop-2-enoate
CID 135455657
ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
CID 54710377
ethyl (E)-3-hydroxy-2-nitrosobut-2-enoate
CID 135408775
ethyl carbonochloridate;pyridine-4-carboxylic acid
CID 174781214
diethyl 2-hydroxy-3-(pyridine-4-carbothioyliminomethyl)but-2-enedioate
CID 135519480
ethyl (Z)-3-pyridin-4-ylbut-2-enoate
CID 69315754
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl 3-hydroxy-3-phenyl-2-(1,3-thiazol-2-yldiazenyl)prop-2-enoate
CID 154031567
ethane;1-O-ethyl 2-O-(pyridin-4-ylmethyl) oxalate
CID 145065639
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
ethyl 4,4-dichloro-3-hydroxy-2-nitrosobut-2-enoate
CID 175204021
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate (CID 135541155) is ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate is CCOC(=O)/C(N=O)=C(\O)c1ccncc1.
What is the InChIKey of ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate?
The InChIKey is XRGYRAQEKAEKFJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-16-10(14)8(12-15)9(13)7-3-5-11-6-4-7/h3-6,13H,2H2,1H3/b9-8+.
What are the key properties of ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate?
ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate has a molecular weight of 222.20 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-hydroxy-2-nitroso-3-pyridin-4-ylprop-2-enoate is sourced from PubChem (CID 135541155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).