1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one

C13H19NO — CID 89312769

IUPAC1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one
SMILESC/C=C\C=C/C=C/CN1CCC(=O)CC1
InChIInChI=1S/C13H19NO/c1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14/h2-7H,8-12H2,1H3/b3-2-,5-4-,7-6+
InChIKeyWZUAZTMLRKYHNV-MUVPYGFYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds4

About 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one

1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one (PubChem CID 89312769) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one
PubChem CID89312769
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one
SMILESC/C=C\C=C/C=C/CN1CCC(=O)CC1
InChIInChI=1S/C13H19NO/c1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14/h2-7H,8-12H2,1H3/b3-2-,5-4-,7-6+
InChIKeyWZUAZTMLRKYHNV-MUVPYGFYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one?
The IUPAC name of 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one (CID 89312769) is 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one.
What is the SMILES notation for 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one?
The canonical SMILES for 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one is C/C=C\C=C/C=C/CN1CCC(=O)CC1.
What is the InChIKey of 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one?
The InChIKey is WZUAZTMLRKYHNV-MUVPYGFYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-4-5-6-7-10-14-11-8-13(15)9-12-14/h2-7H,8-12H2,1H3/b3-2-,5-4-,7-6+.
What are the key properties of 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one?
1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one has a molecular weight of 205.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z,6Z)-octa-2,4,6-trienyl]piperidin-4-one is sourced from PubChem (CID 89312769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).