1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one

C20H33NO — CID 11120228

IUPAC1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCCC1=O
InChIInChI=1S/C20H33NO/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-21-15-6-5-13-20(21)22/h9,11,14H,5-8,10,12-13,15-16H2,1-4H3/b18-11+,19-14+
InChIKeyNIYHCJHBUMZSLH-MMOYSQFZSA-N
MW303.49 g/mol
LogP5.42
Rot. Bonds8

About 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one (PubChem CID 11120228) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one
PubChem CID11120228
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCCC1=O
InChIInChI=1S/C20H33NO/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-21-15-6-5-13-20(21)22/h9,11,14H,5-8,10,12-13,15-16H2,1-4H3/b18-11+,19-14+
InChIKeyNIYHCJHBUMZSLH-MMOYSQFZSA-N
XLogP5.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one?
The IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one (CID 11120228) is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one.
What is the SMILES notation for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one?
The canonical SMILES for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCCC1=O.
What is the InChIKey of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one?
The InChIKey is NIYHCJHBUMZSLH-MMOYSQFZSA-N. The full InChI is InChI=1S/C20H33NO/c1-17(2)9-7-10-18(3)11-8-12-19(4)14-16-21-15-6-5-13-20(21)22/h9,11,14H,5-8,10,12-13,15-16H2,1-4H3/b18-11+,19-14+.
What are the key properties of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one?
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one has a molecular weight of 303.49 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperidin-2-one is sourced from PubChem (CID 11120228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).