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

C14H13NO3 — CID 2839593

IUPAC3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)C=Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C14H13NO3/c1-9-8-10(2)15-14(17)13(9)12(16)6-5-11-4-3-7-18-11/h3-8H,1-2H3,(H,15,17)
InChIKeySBFASELZJAXTPY-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.48
Rot. Bonds3

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

3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 2839593) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID2839593
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)C=Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C14H13NO3/c1-9-8-10(2)15-14(17)13(9)12(16)6-5-11-4-3-7-18-11/h3-8H,1-2H3,(H,15,17)
InChIKeySBFASELZJAXTPY-UHFFFAOYSA-N
XLogP2.48
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.48
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

3-[3-(furan-2-yl)-2-methylprop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one
CID 2844753
4,6-dimethyl-3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]-1H-pyridin-2-one
CID 173481694
3-(furan-2-yl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one
CID 2837637
8-[(E)-3-(furan-2-yl)prop-2-enoyl]-7-hydroxy-4-methylchromen-2-one
CID 6073975
(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 127045490
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-3-(furan-2-yl)-1-(2-hydroxy-4,6-dimethoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 133083417
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(E)-3-(furan-2-yl)-1-(2-methylcyclohexen-1-yl)prop-2-en-1-one
CID 71560535
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 2839593) is 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)C=Cc2ccco2)c(=O)[nH]1.
What is the InChIKey of 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is SBFASELZJAXTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-8-10(2)15-14(17)13(9)12(16)6-5-11-4-3-7-18-11/h3-8H,1-2H3,(H,15,17).
What are the key properties of 3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[3-(furan-2-yl)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.48, 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)prop-2-enoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 2839593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).