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

C12H16N2O3 — CID 135063323

IUPAC(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
SMILESCCO/C(C)=C(/C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C12H16N2O3/c1-4-17-10(3)9(2)12(15)13-11-7-5-6-8-14(11)16/h5-8,16H,4H2,1-3H3/b10-9-,13-11+
InChIKeyVVEHZNQAYWBVEN-AZQRDTPRSA-N
MW236.27 g/mol
LogP1.48
Rot. Bonds3

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

(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide (PubChem CID 135063323) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
PubChem CID135063323
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
SMILESCCO/C(C)=C(/C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C12H16N2O3/c1-4-17-10(3)9(2)12(15)13-11-7-5-6-8-14(11)16/h5-8,16H,4H2,1-3H3/b10-9-,13-11+
InChIKeyVVEHZNQAYWBVEN-AZQRDTPRSA-N
XLogP1.48
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.48
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)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
The IUPAC name of (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide (CID 135063323) is (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
The canonical SMILES for (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide is CCO/C(C)=C(/C)C(=O)/N=c1\ccccn1O.
What is the InChIKey of (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
The InChIKey is VVEHZNQAYWBVEN-AZQRDTPRSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-17-10(3)9(2)12(15)13-11-7-5-6-8-14(11)16/h5-8,16H,4H2,1-3H3/b10-9-,13-11+.
What are the key properties of (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide has a molecular weight of 236.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide is sourced from PubChem (CID 135063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).