4-hydroxy-5-pyridin-4-ylpent-1-en-3-one

C10H11NO2 — CID 174254613

IUPAC4-hydroxy-5-pyridin-4-ylpent-1-en-3-one
SMILESC=CC(=O)C(O)Cc1ccncc1
InChIInChI=1S/C10H11NO2/c1-2-9(12)10(13)7-8-3-5-11-6-4-8/h2-6,10,13H,1,7H2
InChIKeyKSGHNBXTQPGHJW-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.74
Rot. Bonds4

About 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one

4-hydroxy-5-pyridin-4-ylpent-1-en-3-one (PubChem CID 174254613) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one.

Molecular Properties

Compound Name4-hydroxy-5-pyridin-4-ylpent-1-en-3-one
PubChem CID174254613
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-hydroxy-5-pyridin-4-ylpent-1-en-3-one
SMILESC=CC(=O)C(O)Cc1ccncc1
InChIInChI=1S/C10H11NO2/c1-2-9(12)10(13)7-8-3-5-11-6-4-8/h2-6,10,13H,1,7H2
InChIKeyKSGHNBXTQPGHJW-UHFFFAOYSA-N
XLogP0.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
2-hydroxy-3-pyridin-4-ylpropanethial
CID 54087654
1-cyclobutyl-3-pyridin-4-ylpropan-2-ol
CID 65457180
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817
(3R)-3-methyl-4-pyridin-4-ylbutan-2-one
CID 130031436
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
2-cyclopropyl-3-pyridin-4-ylpropanoic acid
CID 83829716
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
N-ethenyl-2-pyridin-4-ylacetamide
CID 174939088
(2R)-2-(azaniumylmethyl)-3-pyridin-4-ylpropanoate
CID 42079758
4-methyl-5-phenylpent-1-en-3-one
CID 21353103
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one?
The IUPAC name of 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one (CID 174254613) is 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one.
What is the SMILES notation for 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one?
The canonical SMILES for 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one is C=CC(=O)C(O)Cc1ccncc1.
What is the InChIKey of 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one?
The InChIKey is KSGHNBXTQPGHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-9(12)10(13)7-8-3-5-11-6-4-8/h2-6,10,13H,1,7H2.
What are the key properties of 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one?
4-hydroxy-5-pyridin-4-ylpent-1-en-3-one has a molecular weight of 177.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-pyridin-4-ylpent-1-en-3-one is sourced from PubChem (CID 174254613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).