(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide

C11H14N2O3 — CID 177386269

IUPAC(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide
SMILESCO/C(C)=C(/C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C11H14N2O3/c1-8(9(2)16-3)11(14)12-10-6-4-5-7-13(10)15/h4-7,15H,1-3H3/b9-8-,12-10+
InChIKeySJJOPXNCFPDWJY-LVQHWDRTSA-N
MW222.24 g/mol
LogP1.09
Rot. Bonds2

About (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide

(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide (PubChem CID 177386269) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide
PubChem CID177386269
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide
SMILESCO/C(C)=C(/C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C11H14N2O3/c1-8(9(2)16-3)11(14)12-10-6-4-5-7-13(10)15/h4-7,15H,1-3H3/b9-8-,12-10+
InChIKeySJJOPXNCFPDWJY-LVQHWDRTSA-N
XLogP1.09
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.09
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'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide?
The IUPAC name of (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide (CID 177386269) is (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide?
The canonical SMILES for (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide is CO/C(C)=C(/C)C(=O)/N=c1\ccccn1O.
What is the InChIKey of (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide?
The InChIKey is SJJOPXNCFPDWJY-LVQHWDRTSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(9(2)16-3)11(14)12-10-6-4-5-7-13(10)15/h4-7,15H,1-3H3/b9-8-,12-10+.
What are the key properties of (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide?
(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide has a molecular weight of 222.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide is sourced from PubChem (CID 177386269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).