4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione

C15H21NO3 — CID 44607166

IUPAC4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
SMILESC[C@@H]1C/C(=C\CC2CC(=O)NC(=O)C2)C(=O)[C@H](C)C1
InChIInChI=1S/C15H21NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4,9-11H,3,5-8H2,1-2H3,(H,16,17,18)/b12-4+/t9-,10+/m0/s1
InChIKeyKWDFWSRTWRWCPS-IXTLXPLRSA-N
MW263.34 g/mol
LogP1.99
Rot. Bonds2

About 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione

4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione (PubChem CID 44607166) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
PubChem CID44607166
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
SMILESC[C@@H]1C/C(=C\CC2CC(=O)NC(=O)C2)C(=O)[C@H](C)C1
InChIInChI=1S/C15H21NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4,9-11H,3,5-8H2,1-2H3,(H,16,17,18)/b12-4+/t9-,10+/m0/s1
InChIKeyKWDFWSRTWRWCPS-IXTLXPLRSA-N
XLogP1.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione with MolForge

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Related Compounds

2,6-Piperidinedione, 4-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)-, (3S-trans)-
CID 6441268
4-[(2Z)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
CID 163090207
4-[(2E)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione
CID 163114501
4-[(2Z)-2-[(5R)-3,5-dimethyl-2-oxocyclohex-3-en-1-ylidene]ethyl]piperidine-2,6-dione
CID 163114502
4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
CID 163190985
3-(1-Cyclohexenyl)-3-methyl-2,6-piperidinedione
CID 353212
4-[(2E)-2-(5-methyl-2-oxo-cyclohexylidene)ethyl]piperidine-2,6-dione
CID 49802351
4-[(2E)-2-(2-oxocyclohexylidene)ethyl]piperidine-2,6-dione
CID 49802352
Tetrahydroisoquinoline-1,3-dione
CID 20478685
Cyclohexenylglutarimide
CID 129715235
2,6-Piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]-, (3S-trans)-
CID 164585
2,6-Piperidinedione, 3-(1-cyclohexen-1-yl)-3-ethyl-
CID 606082

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione?
The IUPAC name of 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione (CID 44607166) is 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione?
The canonical SMILES for 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione is C[C@@H]1C/C(=C\CC2CC(=O)NC(=O)C2)C(=O)[C@H](C)C1.
What is the InChIKey of 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione?
The InChIKey is KWDFWSRTWRWCPS-IXTLXPLRSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-5-10(2)15(19)12(6-9)4-3-11-7-13(17)16-14(18)8-11/h4,9-11H,3,5-8H2,1-2H3,(H,16,17,18)/b12-4+/t9-,10+/m0/s1.
What are the key properties of 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione?
4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione has a molecular weight of 263.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione is sourced from PubChem (CID 44607166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).