1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone

C12H11NO2 — CID 59108811

IUPAC1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone
SMILESCC(=O)c1oc(-c2ccncc2)cc1C
InChIInChI=1S/C12H11NO2/c1-8-7-11(15-12(8)9(2)14)10-3-5-13-6-4-10/h3-7H,1-2H3
InChIKeyRWOXDMPFSCIXCM-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds2

About 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone

1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone (PubChem CID 59108811) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone
PubChem CID59108811
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone
SMILESCC(=O)c1oc(-c2ccncc2)cc1C
InChIInChI=1S/C12H11NO2/c1-8-7-11(15-12(8)9(2)14)10-3-5-13-6-4-10/h3-7H,1-2H3
InChIKeyRWOXDMPFSCIXCM-UHFFFAOYSA-N
XLogP2.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone (CID 59108811) is 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone is CC(=O)c1oc(-c2ccncc2)cc1C.
What is the InChIKey of 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone?
The InChIKey is RWOXDMPFSCIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-7-11(15-12(8)9(2)14)10-3-5-13-6-4-10/h3-7H,1-2H3.
What are the key properties of 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone?
1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone is sourced from PubChem (CID 59108811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).