3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione

C11H16N2O2 — CID 167469906

IUPAC3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione
SMILESC=C/C=C(\CC)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H16N2O2/c1-3-5-8(4-2)12-9-6-7-10(14)13-11(9)15/h3,5,9,12H,1,4,6-7H2,2H3,(H,13,14,15)/b8-5+
InChIKeyNMUFWILAFBRVPE-VMPITWQZSA-N
MW208.26 g/mol
LogP0.86
Rot. Bonds4

About 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione

3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione (PubChem CID 167469906) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione
PubChem CID167469906
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione
SMILESC=C/C=C(\CC)NC1CCC(=O)NC1=O
InChIInChI=1S/C11H16N2O2/c1-3-5-8(4-2)12-9-6-7-10(14)13-11(9)15/h3,5,9,12H,1,4,6-7H2,2H3,(H,13,14,15)/b8-5+
InChIKeyNMUFWILAFBRVPE-VMPITWQZSA-N
XLogP0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
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)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione (CID 167469906) is 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione is C=C/C=C(\CC)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione?
The InChIKey is NMUFWILAFBRVPE-VMPITWQZSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-5-8(4-2)12-9-6-7-10(14)13-11(9)15/h3,5,9,12H,1,4,6-7H2,2H3,(H,13,14,15)/b8-5+.
What are the key properties of 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione?
3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione has a molecular weight of 208.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E)-hexa-3,5-dien-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 167469906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).