3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione

C13H18N2O2 — CID 146573660

IUPAC3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione
SMILESC=C/C(=C\C=C/C)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C13H18N2O2/c1-4-6-7-10(5-2)15(3)11-8-9-12(16)14-13(11)17/h4-7,11H,2,8-9H2,1,3H3,(H,14,16,17)/b6-4-,10-7+
InChIKeyGSUPIRBDWHDIFZ-BSAFSDHNSA-N
MW234.30 g/mol
LogP1.37
Rot. Bonds4

About 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione

3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione (PubChem CID 146573660) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione
PubChem CID146573660
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione
SMILESC=C/C(=C\C=C/C)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C13H18N2O2/c1-4-6-7-10(5-2)15(3)11-8-9-12(16)14-13(11)17/h4-7,11H,2,8-9H2,1,3H3,(H,14,16,17)/b6-4-,10-7+
InChIKeyGSUPIRBDWHDIFZ-BSAFSDHNSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione (CID 146573660) is 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione is C=C/C(=C\C=C/C)N(C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione?
The InChIKey is GSUPIRBDWHDIFZ-BSAFSDHNSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-6-7-10(5-2)15(3)11-8-9-12(16)14-13(11)17/h4-7,11H,2,8-9H2,1,3H3,(H,14,16,17)/b6-4-,10-7+.
What are the key properties of 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione?
3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione has a molecular weight of 234.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]piperidine-2,6-dione is sourced from PubChem (CID 146573660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).