2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone

C14H15NO2 — CID 65152808

IUPAC2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCc1oc(C)c(C(=O)Cc2ccccn2)c1C
InChIInChI=1S/C14H15NO2/c1-9-10(2)17-11(3)14(9)13(16)8-12-6-4-5-7-15-12/h4-7H,8H2,1-3H3
InChIKeyKQYNZBDRYJYUJZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.03
Rot. Bonds3

About 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone

2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone (PubChem CID 65152808) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
PubChem CID65152808
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
SMILESCc1oc(C)c(C(=O)Cc2ccccn2)c1C
InChIInChI=1S/C14H15NO2/c1-9-10(2)17-11(3)14(9)13(16)8-12-6-4-5-7-15-12/h4-7H,8H2,1-3H3
InChIKeyKQYNZBDRYJYUJZ-UHFFFAOYSA-N
XLogP3.03
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65151440
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
[dimethyl-(2-pyridin-2-ylacetyl)oxysilyl] 2-pyridin-2-ylacetate
CID 90113041
3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 47179848
2-(5-bromothiophen-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 114967414
CID 131857449
CID 131857449
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
1-(3-amino-2-pyridinyl)-2-pyridin-2-ylethanone
CID 116613912
1-(2-iodophenyl)-2-pyridin-2-ylethanone
CID 43118474

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The IUPAC name of 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone (CID 65152808) is 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The canonical SMILES for 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone is Cc1oc(C)c(C(=O)Cc2ccccn2)c1C.
What is the InChIKey of 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone?
The InChIKey is KQYNZBDRYJYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-10(2)17-11(3)14(9)13(16)8-12-6-4-5-7-15-12/h4-7H,8H2,1-3H3.
What are the key properties of 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone?
2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone is sourced from PubChem (CID 65152808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).