4-(furan-2-yl)-1,6-dimethylpyridin-2-one

C11H11NO2 — CID 125449500

IUPAC4-(furan-2-yl)-1,6-dimethylpyridin-2-one
SMILESCc1cc(-c2ccco2)cc(=O)n1C
InChIInChI=1S/C11H11NO2/c1-8-6-9(7-11(13)12(8)2)10-4-3-5-14-10/h3-7H,1-2H3
InChIKeyFTPSFDCLGLDDNJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.95
Rot. Bonds1

About 4-(furan-2-yl)-1,6-dimethylpyridin-2-one

4-(furan-2-yl)-1,6-dimethylpyridin-2-one (PubChem CID 125449500) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(furan-2-yl)-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-1,6-dimethylpyridin-2-one
PubChem CID125449500
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name4-(furan-2-yl)-1,6-dimethylpyridin-2-one
SMILESCc1cc(-c2ccco2)cc(=O)n1C
InChIInChI=1S/C11H11NO2/c1-8-6-9(7-11(13)12(8)2)10-4-3-5-14-10/h3-7H,1-2H3
InChIKeyFTPSFDCLGLDDNJ-UHFFFAOYSA-N
XLogP1.95
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-(furan-2-yl)-1,6-dimethylpyridin-2-one (CID 125449500) is 4-(furan-2-yl)-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-(furan-2-yl)-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-(furan-2-yl)-1,6-dimethylpyridin-2-one is Cc1cc(-c2ccco2)cc(=O)n1C.
What is the InChIKey of 4-(furan-2-yl)-1,6-dimethylpyridin-2-one?
The InChIKey is FTPSFDCLGLDDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-6-9(7-11(13)12(8)2)10-4-3-5-14-10/h3-7H,1-2H3.
What are the key properties of 4-(furan-2-yl)-1,6-dimethylpyridin-2-one?
4-(furan-2-yl)-1,6-dimethylpyridin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 125449500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).