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

C13H18N2O3 — CID 135061135

IUPAC(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide
SMILESCCO/C(CC)=C(/C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C13H18N2O3/c1-4-11(18-5-2)10(3)13(16)14-12-8-6-7-9-15(12)17/h6-9,17H,4-5H2,1-3H3/b11-10-,14-12+
InChIKeyVZWIQFJWIKZPPL-HSINTONASA-N
MW250.30 g/mol
LogP1.87
Rot. Bonds4

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

(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide (PubChem CID 135061135) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide
PubChem CID135061135
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide
SMILESCCO/C(CC)=C(/C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C13H18N2O3/c1-4-11(18-5-2)10(3)13(16)14-12-8-6-7-9-15(12)17/h6-9,17H,4-5H2,1-3H3/b11-10-,14-12+
InChIKeyVZWIQFJWIKZPPL-HSINTONASA-N
XLogP1.87
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.87
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-methylpent-2-enamide?
The IUPAC name of (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide (CID 135061135) is (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide is CCO/C(CC)=C(/C)C(=O)/N=c1\ccccn1O.
What is the InChIKey of (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide?
The InChIKey is VZWIQFJWIKZPPL-HSINTONASA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-11(18-5-2)10(3)13(16)14-12-8-6-7-9-15(12)17/h6-9,17H,4-5H2,1-3H3/b11-10-,14-12+.
What are the key properties of (Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide?
(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide has a molecular weight of 250.30 g/mol, XLogP of 1.87, 4 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-methylpent-2-enamide is sourced from PubChem (CID 135061135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).