1-pyridin-3-ylpent-4-yn-2-one

C10H9NO — CID 62551536

IUPAC1-pyridin-3-ylpent-4-yn-2-one
SMILESC#CCC(=O)Cc1cccnc1
InChIInChI=1S/C10H9NO/c1-2-4-10(12)7-9-5-3-6-11-8-9/h1,3,5-6,8H,4,7H2
InChIKeyDRNBHJIYKPXCMW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.22
Rot. Bonds3

About 1-pyridin-3-ylpent-4-yn-2-one

1-pyridin-3-ylpent-4-yn-2-one (PubChem CID 62551536) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-pyridin-3-ylpent-4-yn-2-one.

Molecular Properties

Compound Name1-pyridin-3-ylpent-4-yn-2-one
PubChem CID62551536
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-pyridin-3-ylpent-4-yn-2-one
SMILESC#CCC(=O)Cc1cccnc1
InChIInChI=1S/C10H9NO/c1-2-4-10(12)7-9-5-3-6-11-8-9/h1,3,5-6,8H,4,7H2
InChIKeyDRNBHJIYKPXCMW-UHFFFAOYSA-N
XLogP1.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;1-pyridin-3-ylbut-3-yn-2-one
CID 143759545
1-bromo-3-pyridin-3-ylpropan-2-one;hydrobromide
CID 44818466
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
1-pyridin-3-ylhept-6-yn-3-one
CID 105100705
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpent-4-yn-2-one?
The IUPAC name of 1-pyridin-3-ylpent-4-yn-2-one (CID 62551536) is 1-pyridin-3-ylpent-4-yn-2-one.
What is the SMILES notation for 1-pyridin-3-ylpent-4-yn-2-one?
The canonical SMILES for 1-pyridin-3-ylpent-4-yn-2-one is C#CCC(=O)Cc1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpent-4-yn-2-one?
The InChIKey is DRNBHJIYKPXCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-10(12)7-9-5-3-6-11-8-9/h1,3,5-6,8H,4,7H2.
What are the key properties of 1-pyridin-3-ylpent-4-yn-2-one?
1-pyridin-3-ylpent-4-yn-2-one has a molecular weight of 159.19 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpent-4-yn-2-one is sourced from PubChem (CID 62551536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).