1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol

C11H14N2O2 — CID 174398310

IUPAC1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol
SMILESCC(O)CON=C=CCc1cccnc1
InChIInChI=1S/C11H14N2O2/c1-10(14)9-15-13-7-3-5-11-4-2-6-12-8-11/h2-4,6,8,10,14H,5,9H2,1H3
InChIKeyWVHFFKXMOKEBRO-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.16
Rot. Bonds5

About 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol

1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol (PubChem CID 174398310) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol
PubChem CID174398310
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol
SMILESCC(O)CON=C=CCc1cccnc1
InChIInChI=1S/C11H14N2O2/c1-10(14)9-15-13-7-3-5-11-4-2-6-12-8-11/h2-4,6,8,10,14H,5,9H2,1H3
InChIKeyWVHFFKXMOKEBRO-UHFFFAOYSA-N
XLogP1.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
(2S)-12-pyridin-3-yldodeca-5,8,10-trien-2-ol
CID 162940035
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
N'-(2-hydroxypropyl)-N-(pyridin-3-ylmethyl)oxamide
CID 44998654
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
CID 158241647
N-methyl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60912739
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
platinum(2+);propan-2-amine;pyridin-3-ylmethanol;dichloride
CID 11964438
2-methylpropyl(pyridin-3-ylmethyl)azanium
CID 7808850

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol?
The IUPAC name of 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol (CID 174398310) is 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol.
What is the SMILES notation for 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol?
The canonical SMILES for 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol is CC(O)CON=C=CCc1cccnc1.
What is the InChIKey of 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol?
The InChIKey is WVHFFKXMOKEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-10(14)9-15-13-7-3-5-11-4-2-6-12-8-11/h2-4,6,8,10,14H,5,9H2,1H3.
What are the key properties of 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol?
1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol has a molecular weight of 206.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-ylprop-1-enylideneamino)oxypropan-2-ol is sourced from PubChem (CID 174398310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).