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

C13H13NO2 — CID 114821426

IUPAC1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2ncccc2C)co1
InChIInChI=1S/C13H13NO2/c1-9-4-3-5-14-12(9)7-13(15)11-6-10(2)16-8-11/h3-6,8H,7H2,1-2H3
InChIKeyTYAHYOWMHVNFKD-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.72
Rot. Bonds3

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

1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 114821426) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID114821426
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2ncccc2C)co1
InChIInChI=1S/C13H13NO2/c1-9-4-3-5-14-12(9)7-13(15)11-6-10(2)16-8-11/h3-6,8H,7H2,1-2H3
InChIKeyTYAHYOWMHVNFKD-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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-iodothiophen-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79693070
1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447636
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107982894
2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821172
1-(5-ethylfuran-2-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 79094528
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-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone (CID 114821426) is 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone is Cc1cc(C(=O)Cc2ncccc2C)co1.
What is the InChIKey of 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is TYAHYOWMHVNFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-4-3-5-14-12(9)7-13(15)11-6-10(2)16-8-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone?
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 215.25 g/mol, XLogP of 2.72, 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-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 114821426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).