5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one

C12H11NO3 — CID 59749682

IUPAC5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one
SMILESCn1cc(CC(=O)c2ccco2)ccc1=O
InChIInChI=1S/C12H11NO3/c1-13-8-9(4-5-12(13)15)7-10(14)11-3-2-6-16-11/h2-6,8H,7H2,1H3
InChIKeyIILMOAOPCBRBDY-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.40
Rot. Bonds3

About 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one

5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one (PubChem CID 59749682) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one
PubChem CID59749682
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one
SMILESCn1cc(CC(=O)c2ccco2)ccc1=O
InChIInChI=1S/C12H11NO3/c1-13-8-9(4-5-12(13)15)7-10(14)11-3-2-6-16-11/h2-6,8H,7H2,1H3
InChIKeyIILMOAOPCBRBDY-UHFFFAOYSA-N
XLogP1.40
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one (CID 59749682) is 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one is Cn1cc(CC(=O)c2ccco2)ccc1=O.
What is the InChIKey of 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one?
The InChIKey is IILMOAOPCBRBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-13-8-9(4-5-12(13)15)7-10(14)11-3-2-6-16-11/h2-6,8H,7H2,1H3.
What are the key properties of 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one?
5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)-2-oxoethyl]-1-methylpyridin-2-one is sourced from PubChem (CID 59749682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).