1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one

C11H11NO2 — CID 130594890

IUPAC1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
SMILESCC#CCC(=O)c1ccc(OC)nc1
InChIInChI=1S/C11H11NO2/c1-3-4-5-10(13)9-6-7-11(14-2)12-8-9/h6-8H,5H2,1-2H3
InChIKeyLOUCMJGNYQJDFN-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.69
Rot. Bonds3

About 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one

1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one (PubChem CID 130594890) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
PubChem CID130594890
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
SMILESCC#CCC(=O)c1ccc(OC)nc1
InChIInChI=1S/C11H11NO2/c1-3-4-5-10(13)9-6-7-11(14-2)12-8-9/h6-8H,5H2,1-2H3
InChIKeyLOUCMJGNYQJDFN-UHFFFAOYSA-N
XLogP1.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxypyridine-3-carboxylate
CID 7060527
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
6-(6-methoxy-3-pyridinyl)-6-oxohexanal
CID 130369163
3-(4-bromophenyl)-1-(6-methoxy-3-pyridinyl)propan-1-one
CID 161119068
1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one
CID 67015597
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
2-bromo-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 167489531
N-(2-amino-2-oxoethoxy)-6-methoxypyridine-3-carboxamide
CID 112550755
6-methoxy-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914743
[2-(diethylamino)-2-oxoethyl] 6-methoxypyridine-3-carboxylate
CID 55443956
N-(2-ethylbutyl)-6-methoxypyridine-3-carboxamide
CID 113232040

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one (CID 130594890) is 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one is CC#CCC(=O)c1ccc(OC)nc1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one?
The InChIKey is LOUCMJGNYQJDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-3-4-5-10(13)9-6-7-11(14-2)12-8-9/h6-8H,5H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one?
1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one is sourced from PubChem (CID 130594890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).