3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione

C17H23NO3 — CID 91045188

IUPAC3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione
SMILESC=CC1=C(CC)CCC(CCC2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C17H23NO3/c1-3-11-5-6-12(16(20)14(11)4-2)7-8-13-9-10-15(19)18-17(13)21/h4,12-13H,2-3,5-10H2,1H3,(H,18,19,21)
InChIKeyMIZJUPYIMYHUON-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione

3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione (PubChem CID 91045188) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione
PubChem CID91045188
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione
SMILESC=CC1=C(CC)CCC(CCC2CCC(=O)NC2=O)C1=O
InChIInChI=1S/C17H23NO3/c1-3-11-5-6-12(16(20)14(11)4-2)7-8-13-9-10-15(19)18-17(13)21/h4,12-13H,2-3,5-10H2,1H3,(H,18,19,21)
InChIKeyMIZJUPYIMYHUON-UHFFFAOYSA-N
XLogP2.69
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Piperidinedione, 4-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)-, (3S-trans)-
CID 6441268
4-[(2E)-2-[(3R,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
CID 44607166
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-[(2E,5R,6E)-5,7-dimethyl-4-oxonona-2,6,8-trienyl]piperidine-2,6-dione
CID 163190323
4-[(5R,6E)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
CID 163190985
4-[(2E)-2-(5-methyl-2-oxo-cyclohexylidene)ethyl]piperidine-2,6-dione
CID 49802351
4-[(5R,6Z)-5,7-dimethyl-4-oxonona-6,8-dienyl]piperidine-2,6-dione
CID 163109529
4-[(2E,5R,6Z)-5,7-dimethyl-4-oxonona-2,6,8-trienyl]piperidine-2,6-dione
CID 163150089
3-[(4Z,6Z)-5-fluoro-8,9-dimethyl-12-oxo-7-prop-1-en-2-ylpentadeca-4,6-dien-4-yl]piperidine-2,6-dione
CID 172617333
Cyclohexenylglutarimide
CID 129715235

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione (CID 91045188) is 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione is C=CC1=C(CC)CCC(CCC2CCC(=O)NC2=O)C1=O.
What is the InChIKey of 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione?
The InChIKey is MIZJUPYIMYHUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-11-5-6-12(16(20)14(11)4-2)7-8-13-9-10-15(19)18-17(13)21/h4,12-13H,2-3,5-10H2,1H3,(H,18,19,21).
What are the key properties of 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione?
3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione has a molecular weight of 289.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethenyl-4-ethyl-2-oxocyclohex-3-en-1-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 91045188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).