3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione

C13H19NO2 — CID 606082

IUPAC3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione
SMILESCCC1(C2=CCCCC2)CCC(=O)NC1=O
InChIInChI=1S/C13H19NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h6H,2-5,7-9H2,1H3,(H,14,15,16)
InChIKeyCLTRUQQCMYZGCK-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds2

About 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione

3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione (PubChem CID 606082) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione
PubChem CID606082
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione
SMILESCCC1(C2=CCCCC2)CCC(=O)NC1=O
InChIInChI=1S/C13H19NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h6H,2-5,7-9H2,1H3,(H,14,15,16)
InChIKeyCLTRUQQCMYZGCK-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione?
The IUPAC name of 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione (CID 606082) is 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione?
The canonical SMILES for 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione is CCC1(C2=CCCCC2)CCC(=O)NC1=O.
What is the InChIKey of 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione?
The InChIKey is CLTRUQQCMYZGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h6H,2-5,7-9H2,1H3,(H,14,15,16).
What are the key properties of 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione?
3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione has a molecular weight of 221.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 606082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).