5-hex-1-ynyl-3-methyl-1H-pyridin-2-one

C12H15NO — CID 178201398

IUPAC5-hex-1-ynyl-3-methyl-1H-pyridin-2-one
SMILESCCCCC#Cc1c[nH]c(=O)c(C)c1
InChIInChI=1S/C12H15NO/c1-3-4-5-6-7-11-8-10(2)12(14)13-9-11/h8-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyJUPJUMBPPPTXCI-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.23
Rot. Bonds2

About 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one

5-hex-1-ynyl-3-methyl-1H-pyridin-2-one (PubChem CID 178201398) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-hex-1-ynyl-3-methyl-1H-pyridin-2-one
PubChem CID178201398
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-hex-1-ynyl-3-methyl-1H-pyridin-2-one
SMILESCCCCC#Cc1c[nH]c(=O)c(C)c1
InChIInChI=1S/C12H15NO/c1-3-4-5-6-7-11-8-10(2)12(14)13-9-11/h8-9H,3-5H2,1-2H3,(H,13,14)
InChIKeyJUPJUMBPPPTXCI-UHFFFAOYSA-N
XLogP2.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethylpyridin-2-ol
CID 12354337
5-Dimethylaminomethyl-1H-pyridin-2-one
CID 14846982
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 12374555
5-[((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-methyl]-1H-pyridin-2-one
CID 44282823
3-(Aminomethyl)-5-methylpyridin-2-ol
CID 62652428
3-(Aminomethyl)-5-methyl-1,2-dihydropyridin-2-one hydrochloride
CID 91647545
Butenylpyridinone
CID 91431881
trans-Propenyl-pyridone
CID 91565194
Isobutenyl-pyridone
CID 129694189
3-ethyl-5-fluoro-1H-pyridin-2-one
CID 68075676
5-Ethyl-3-(trifluoromethyl)pyridin-2-ol
CID 90227876

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one (CID 178201398) is 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one is CCCCC#Cc1c[nH]c(=O)c(C)c1.
What is the InChIKey of 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one?
The InChIKey is JUPJUMBPPPTXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-4-5-6-7-11-8-10(2)12(14)13-9-11/h8-9H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one?
5-hex-1-ynyl-3-methyl-1H-pyridin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 178201398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).