(Z)-1-pyridin-3-ylbut-2-en-1-ol

C9H11NO — CID 45079933

IUPAC(Z)-1-pyridin-3-ylbut-2-en-1-ol
SMILESC/C=C\C(O)c1cccnc1
InChIInChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h2-7,9,11H,1H3/b4-2-
InChIKeyHSDNMCZEEUGYMT-RQOWECAXSA-N
MW149.19 g/mol
LogP1.69
Rot. Bonds2

About (Z)-1-pyridin-3-ylbut-2-en-1-ol

(Z)-1-pyridin-3-ylbut-2-en-1-ol (PubChem CID 45079933) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (Z)-1-pyridin-3-ylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-pyridin-3-ylbut-2-en-1-ol
PubChem CID45079933
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(Z)-1-pyridin-3-ylbut-2-en-1-ol
SMILESC/C=C\C(O)c1cccnc1
InChIInChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h2-7,9,11H,1H3/b4-2-
InChIKeyHSDNMCZEEUGYMT-RQOWECAXSA-N
XLogP1.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
CID 130127875
(Z,1R)-3-phenyl-1-pyridin-3-ylprop-2-en-1-ol
CID 97304511
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
CID 134968632
(E)-N-(1-pyridin-3-ylethyl)pent-3-en-1-amine
CID 115890113
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
CID 124567765

Frequently Asked Questions

What is the IUPAC name of (Z)-1-pyridin-3-ylbut-2-en-1-ol?
The IUPAC name of (Z)-1-pyridin-3-ylbut-2-en-1-ol (CID 45079933) is (Z)-1-pyridin-3-ylbut-2-en-1-ol.
What is the SMILES notation for (Z)-1-pyridin-3-ylbut-2-en-1-ol?
The canonical SMILES for (Z)-1-pyridin-3-ylbut-2-en-1-ol is C/C=C\C(O)c1cccnc1.
What is the InChIKey of (Z)-1-pyridin-3-ylbut-2-en-1-ol?
The InChIKey is HSDNMCZEEUGYMT-RQOWECAXSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-9(11)8-5-3-6-10-7-8/h2-7,9,11H,1H3/b4-2-.
What are the key properties of (Z)-1-pyridin-3-ylbut-2-en-1-ol?
(Z)-1-pyridin-3-ylbut-2-en-1-ol has a molecular weight of 149.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-pyridin-3-ylbut-2-en-1-ol is sourced from PubChem (CID 45079933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).