(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide

C10H12N2O2 — CID 135071336

IUPAC(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C10H12N2O2/c1-3-8(2)10(13)11-9-6-4-5-7-12(9)14/h3-7,14H,1-2H3/b8-3+,11-9+
InChIKeyHQYPAXVHTZARKR-VSCQNNMLSA-N
MW192.22 g/mol
LogP1.12
Rot. Bonds1

About (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide

(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide (PubChem CID 135071336) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
PubChem CID135071336
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)/N=c1\ccccn1O
InChIInChI=1S/C10H12N2O2/c1-3-8(2)10(13)11-9-6-4-5-7-12(9)14/h3-7,14H,1-2H3/b8-3+,11-9+
InChIKeyHQYPAXVHTZARKR-VSCQNNMLSA-N
XLogP1.12
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypyridin-2-ylidene)acetamide
CID 138895
N-(1-Hydroxy-5-methylpyridin-2(1H)-ylidene)acetamide
CID 295925
N-(1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
CID 10607848
(Z)-3-ethoxy-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide
CID 135063323
(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylpent-2-enamide
CID 135071457
N-(1-hydroxy-3-methyl-2-pyridinylidene)acetamide
CID 13205642
2-Acetamido-4-methylpyridin-1-ium-1-olate
CID 13205643
4-Methyl-2-pivalamidopyridine 1-oxide
CID 59272526
4-Hydroxyimidazo[1,2-a]pyridin-4-ium-7-carboxamide
CID 67163345
N-(1-hydroxy-2-pyridinylidene)propanamide
CID 141394115
N-(6-deuterio-1-hydroxy-2-pyridinylidene)-2,2-dimethylpropanamide
CID 10512053
(Z)-N-(1-hydroxy-2-pyridinylidene)-3-methoxy-2-methylbut-2-enamide
CID 177386269

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide (CID 135071336) is (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide is C/C=C(\C)C(=O)/N=c1\ccccn1O.
What is the InChIKey of (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
The InChIKey is HQYPAXVHTZARKR-VSCQNNMLSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-8(2)10(13)11-9-6-4-5-7-12(9)14/h3-7,14H,1-2H3/b8-3+,11-9+.
What are the key properties of (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide?
(E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide has a molecular weight of 192.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-2-pyridinylidene)-2-methylbut-2-enamide is sourced from PubChem (CID 135071336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).