1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone

C14H15NO2 — CID 79094528

IUPAC1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCCc1ccc(C(=O)Cc2ncccc2C)o1
InChIInChI=1S/C14H15NO2/c1-3-11-6-7-14(17-11)13(16)9-12-10(2)5-4-8-15-12/h4-8H,3,9H2,1-2H3
InChIKeyQBAKDAGHRPPXJU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.97
Rot. Bonds4

About 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone

1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 79094528) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID79094528
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCCc1ccc(C(=O)Cc2ncccc2C)o1
InChIInChI=1S/C14H15NO2/c1-3-11-6-7-14(17-11)13(16)9-12-10(2)5-4-8-15-12/h4-8H,3,9H2,1-2H3
InChIKeyQBAKDAGHRPPXJU-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
5-ethyl-N-(8-methylquinolin-5-yl)furan-2-carboxamide
CID 46404652
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanone
CID 115795803
1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447636
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethanone
CID 114980388
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone (CID 79094528) is 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone is CCc1ccc(C(=O)Cc2ncccc2C)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is QBAKDAGHRPPXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-11-6-7-14(17-11)13(16)9-12-10(2)5-4-8-15-12/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone?
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 79094528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).