3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione

C12H15FN2O2 — CID 177343889

IUPAC3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
SMILESC=C(F)/C=C(\C=C/C)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H15FN2O2/c1-3-4-9(7-8(2)13)14-10-5-6-11(16)15-12(10)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,16,17)/b4-3-,9-7+
InChIKeyUHFAMSYWXPLSEL-GAWLIRPZSA-N
MW238.26 g/mol
LogP1.32
Rot. Bonds4

About 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione

3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione (PubChem CID 177343889) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
PubChem CID177343889
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione
SMILESC=C(F)/C=C(\C=C/C)NC1CCC(=O)NC1=O
InChIInChI=1S/C12H15FN2O2/c1-3-4-9(7-8(2)13)14-10-5-6-11(16)15-12(10)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,16,17)/b4-3-,9-7+
InChIKeyUHFAMSYWXPLSEL-GAWLIRPZSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.32
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,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione (CID 177343889) is 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione is C=C(F)/C=C(\C=C/C)NC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
The InChIKey is UHFAMSYWXPLSEL-GAWLIRPZSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-3-4-9(7-8(2)13)14-10-5-6-11(16)15-12(10)17/h3-4,7,10,14H,2,5-6H2,1H3,(H,15,16,17)/b4-3-,9-7+.
What are the key properties of 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione?
3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione has a molecular weight of 238.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E,5Z)-2-fluorohepta-1,3,5-trien-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 177343889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).