1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one

C13H13NO2 — CID 114821425

IUPAC1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
SMILESCc1cc(C(=O)C(C)c2ccccn2)co1
InChIInChI=1S/C13H13NO2/c1-9-7-11(8-16-9)13(15)10(2)12-5-3-4-6-14-12/h3-8,10H,1-2H3
InChIKeyMQSKARHDOPDRBV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.97
Rot. Bonds3

About 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one

1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one (PubChem CID 114821425) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
PubChem CID114821425
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
SMILESCc1cc(C(=O)C(C)c2ccccn2)co1
InChIInChI=1S/C13H13NO2/c1-9-7-11(8-16-9)13(15)10(2)12-5-3-4-6-14-12/h3-8,10H,1-2H3
InChIKeyMQSKARHDOPDRBV-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
1-(3-methylfuran-2-yl)-2-pyridin-2-ylpropan-1-one
CID 66448939
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylpropan-1-one
CID 66446406
1-(3-methyl-4-nitrophenyl)-2-pyridin-2-ylpropan-1-one
CID 66446209
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
lithium 2-pyridin-2-ylpropanoate
CID 175058549
[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid
CID 175757670
oxalic acid;1-pyridin-2-ylethanamine
CID 45156268
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one (CID 114821425) is 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one is Cc1cc(C(=O)C(C)c2ccccn2)co1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is MQSKARHDOPDRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-7-11(8-16-9)13(15)10(2)12-5-3-4-6-14-12/h3-8,10H,1-2H3.
What are the key properties of 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one?
1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 114821425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).