(3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione

C16H15NO3 — CID 158880199

IUPAC(3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione
SMILESCCN1C(=O)CC(=O)/C(=C\C=C\c2ccccc2)C1=O
InChIInChI=1S/C16H15NO3/c1-2-17-15(19)11-14(18)13(16(17)20)10-6-9-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3/b9-6+,13-10+
InChIKeyGMHOVTZRXMLRPE-DEKJKZHBSA-N
MW269.30 g/mol
LogP1.97
Rot. Bonds3

About (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione

(3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione (PubChem CID 158880199) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione.

Molecular Properties

Compound Name(3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione
PubChem CID158880199
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione
SMILESCCN1C(=O)CC(=O)/C(=C\C=C\c2ccccc2)C1=O
InChIInChI=1S/C16H15NO3/c1-2-17-15(19)11-14(18)13(16(17)20)10-6-9-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3/b9-6+,13-10+
InChIKeyGMHOVTZRXMLRPE-DEKJKZHBSA-N
XLogP1.97
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-ethyl-3-[(E)-3-(3-fluorophenyl)prop-2-enylidene]-6-sulfanylidenepiperidine-2,4-dione
CID 158685536
(3E)-1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enylidene]piperidine-2,4,6-trione;1-ethylpiperidine-2,4,6-trione;(E)-3-(furan-2-yl)prop-2-enal
CID 161216352
3-benzylidene-1-ethylpyrrolidine-2,5-dione
CID 75089434
3-ethyl-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1350634
1-ethyl-5-[3-(4-methylphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 78092131
(3E)-3-[(E)-3-[3-(dimethylamino)phenyl]prop-2-enylidene]-1-methylpiperidine-2,4,6-trione
CID 144530717
1,3-diethyl-5-[3-(2-methylphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 78092278
(3Z)-1-benzyl-3-[(E)-3-phenylprop-2-enylidene]indol-2-one
CID 122182254
(4E)-5-methyl-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
CID 6339121
(5E)-1-ethyl-5-[(E)-3-(4-fluorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 71510611
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-methyl-5-oxo-1-(2-phenylethyl)pyrrole-3-carboxylate
CID 3294186
(2E,5Z)-3-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)imino]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 18844864

Frequently Asked Questions

What is the IUPAC name of (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione?
The IUPAC name of (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione (CID 158880199) is (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione.
What is the SMILES notation for (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione?
The canonical SMILES for (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione is CCN1C(=O)CC(=O)/C(=C\C=C\c2ccccc2)C1=O.
What is the InChIKey of (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione?
The InChIKey is GMHOVTZRXMLRPE-DEKJKZHBSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-17-15(19)11-14(18)13(16(17)20)10-6-9-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3/b9-6+,13-10+.
What are the key properties of (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione?
(3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione has a molecular weight of 269.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethyl-3-[(E)-3-phenylprop-2-enylidene]piperidine-2,4,6-trione is sourced from PubChem (CID 158880199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).