1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone

C11H13NO2 — CID 170476646

IUPAC1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(C=CCCO)c1
InChIInChI=1S/C11H13NO2/c1-9(14)11-6-10(7-12-8-11)4-2-3-5-13/h2,4,6-8,13H,3,5H2,1H3
InChIKeyYOWJGBVQOKLQDT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.68
Rot. Bonds4

About 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone

1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone (PubChem CID 170476646) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
PubChem CID170476646
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cncc(C=CCCO)c1
InChIInChI=1S/C11H13NO2/c1-9(14)11-6-10(7-12-8-11)4-2-3-5-13/h2,4,6-8,13H,3,5H2,1H3
InChIKeyYOWJGBVQOKLQDT-UHFFFAOYSA-N
XLogP1.68
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(4-aminobut-1-enyl)pyridine-3-carboxylate
CID 170487339
methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
5-(4-aminobut-1-enyl)pyridine-3-carbohydrazide
CID 170487393
ethyl (E)-3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 134511046
methyl 5-(3-aminoprop-1-enyl)pyridine-3-carboxylate
CID 169463930
5-(3-chloroprop-1-enyl)pyridine-3-carboxylic acid
CID 169477397
1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
CID 121458605
ethyl 5-(3-bromoprop-1-enyl)pyridine-3-carboxylate
CID 169476080
1-[3-chloro-4-(4-hydroxybut-1-enyl)phenyl]ethanone
CID 170476846
3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
CID 170476900
5-(4-azidobut-1-enyl)pyridine-3-carboxamide
CID 170485248
(E)-4-(5-phenoxy-3-pyridinyl)but-3-en-1-ol
CID 18624576

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone (CID 170476646) is 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone is CC(=O)c1cncc(C=CCCO)c1.
What is the InChIKey of 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone?
The InChIKey is YOWJGBVQOKLQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(14)11-6-10(7-12-8-11)4-2-3-5-13/h2,4,6-8,13H,3,5H2,1H3.
What are the key properties of 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone?
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone has a molecular weight of 191.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 170476646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).