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

C16H17NO2 — CID 59268173

IUPAC3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1=CC=CC1
InChIInChI=1S/C16H17NO2/c1-11-10-12(2)17(3)16(19)15(11)14(18)9-8-13-6-4-5-7-13/h4-6,8-10H,7H2,1-3H3/b9-8+
InChIKeyTYLSAMLWCDSFFF-CMDGGOBGSA-N
MW255.32 g/mol
LogP2.63
Rot. Bonds3

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

3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 59268173) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
PubChem CID59268173
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)/C=C/C1=CC=CC1
InChIInChI=1S/C16H17NO2/c1-11-10-12(2)17(3)16(19)15(11)14(18)9-8-13-6-4-5-7-13/h4-6,8-10H,7H2,1-3H3/b9-8+
InChIKeyTYLSAMLWCDSFFF-CMDGGOBGSA-N
XLogP2.63
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.63
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 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-Acetyl-1,6-dimethylpyridin-2-one
CID 82064508

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?
The IUPAC name of 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one (CID 59268173) is 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one is 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?
The InChIKey is TYLSAMLWCDSFFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-10-12(2)17(3)16(19)15(11)14(18)9-8-13-6-4-5-7-13/h4-6,8-10H,7H2,1-3H3/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?
3-[(E)-3-cyclopenta-1,3-dien-1-ylprop-2-enoyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.63, 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 is sourced from PubChem (CID 59268173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).