3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

C15H15NO3 — CID 2844753

IUPAC3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCC(=Cc1ccco1)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H15NO3/c1-9-7-11(3)16-15(18)13(9)14(17)10(2)8-12-5-4-6-19-12/h4-8H,1-3H3,(H,16,18)
InChIKeyYJGJPDIGZOCJQB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds3

About 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one

3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 2844753) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID2844753
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCC(=Cc1ccco1)C(=O)c1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C15H15NO3/c1-9-7-11(3)16-15(18)13(9)14(17)10(2)8-12-5-4-6-19-12/h4-8H,1-3H3,(H,16,18)
InChIKeyYJGJPDIGZOCJQB-UHFFFAOYSA-N
XLogP2.87
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-1-(5-methylfurfurylidene)furo[3,4-c]pyridine-3,4(1H,5H)-dione
CID 684189
n-Cyclopentyl-3-(furan-2-yl)acrylamide
CID 2303075
(Z)-1-(Furan-2-ylmethylene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 15212296
4-Furan-2-ylmethylene-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
CID 5407340
3-[3-(2-furyl)acryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5720252
4,6-dimethyl-3-[(2E)-2-methyl-3-(5-methyl-2-furyl)prop-2-enoyl]pyridin-2(1H)-one
CID 16194144
4-hydroxy-6-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1H-pyridin-2-one
CID 145990237
1-(Furan-2-ylmethylene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
CID 6380041
(Z)-6-Methyl-1-((5-methylfuran-2-yl)methylene)-1H-pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione
CID 25155328
(1Z)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-5H-pyrrolo[3,4-c]pyridin-3-one
CID 25156422
6-(furan-2-yl)-N-(2-methylbutan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459075
6-(furan-2-yl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 47460536

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 2844753) is 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is CC(=Cc1ccco1)C(=O)c1c(C)cc(C)[nH]c1=O.
What is the InChIKey of 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is YJGJPDIGZOCJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-9-7-11(3)16-15(18)13(9)14(17)10(2)8-12-5-4-6-19-12/h4-8H,1-3H3,(H,16,18).
What are the key properties of 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 257.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 2844753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).