3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane

C18H23NO2 — CID 91492618

IUPAC3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane
SMILESCC.Cc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1=CC=CC1
InChIInChI=1S/C16H17NO2.C2H6/c1-11-10-12(2)17(3)16(19)15(11)14(18)9-8-13-6-4-5-7-13;1-2/h4-6,8-10H,7H2,1-3H3;1-2H3/b9-8+;
InChIKeyMUTAXEAWXABINR-HRNDJLQDSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds3

About 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane

3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane (PubChem CID 91492618) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane.

Molecular Properties

Compound Name3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane
PubChem CID91492618
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane
SMILESCC.Cc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1=CC=CC1
InChIInChI=1S/C16H17NO2.C2H6/c1-11-10-12(2)17(3)16(19)15(11)14(18)9-8-13-6-4-5-7-13;1-2/h4-6,8-10H,7H2,1-3H3;1-2H3/b9-8+;
InChIKeyMUTAXEAWXABINR-HRNDJLQDSA-N
XLogP3.65
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane with MolForge

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Related Compounds

N-butyl-3-acetyl-2-pyridone
CID 82526873
3-Acetyl-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 172376829
7-Acetylbenzo[a]quinolizin-6-one
CID 132564755
(3Z)-1-ethyl-3-[(2E,4E)-5-fluoro-4-(1-fluoroethenyl)hepta-2,4,6-trienylidene]-6-methylidenepiperidine-2,4-dione
CID 144530735
3,3'-(1-oxo-2-butene-1,3-diyl)bis(1-butyl-2(1H)-pyridinone)
CID 5718804
6-acetyl-7-ethyl-2,3-dihydro-1H-indolizin-5-one
CID 86102467
7-acetyl-6-ethyl-2,3-dihydro-1H-indolizin-5-one
CID 86102469
1,4-dimethyl-8H-quinoline-2,7-dione
CID 19829051
CID 58710106
CID 58710106
3-[(E)-3-cyclohexylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
CID 58710147
3-Acetyl-4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
CID 59085576
3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
CID 59268173

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane?
The IUPAC name of 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane (CID 91492618) is 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane.
What is the SMILES notation for 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane?
The canonical SMILES for 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane is CC.Cc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1=CC=CC1.
What is the InChIKey of 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane?
The InChIKey is MUTAXEAWXABINR-HRNDJLQDSA-N. The full InChI is InChI=1S/C16H17NO2.C2H6/c1-11-10-12(2)17(3)16(19)15(11)14(18)9-8-13-6-4-5-7-13;1-2/h4-6,8-10H,7H2,1-3H3;1-2H3/b9-8+;.
What are the key properties of 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane?
3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane has a molecular weight of 285.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one;ethane is sourced from PubChem (CID 91492618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).