(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal

C17H25NO2 — CID 44561510

IUPAC(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-15(8-6-10-16(2)14-19)9-7-11-17(20)18-12-4-3-5-13-18/h7,9-11,14H,3-6,8,12-13H2,1-2H3/b11-7+,15-9+,16-10+
InChIKeyQELFRBYSVVMKBN-CWRCUQLCSA-N
MW275.39 g/mol
LogP3.43
Rot. Bonds6

About (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal

(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal (PubChem CID 44561510) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal.

Molecular Properties

Compound Name(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal
PubChem CID44561510
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal
SMILESC/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-15(8-6-10-16(2)14-19)9-7-11-17(20)18-12-4-3-5-13-18/h7,9-11,14H,3-6,8,12-13H2,1-2H3/b11-7+,15-9+,16-10+
InChIKeyQELFRBYSVVMKBN-CWRCUQLCSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal?
The IUPAC name of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal (CID 44561510) is (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal.
What is the SMILES notation for (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal?
The canonical SMILES for (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal is C/C(C=O)=C\CC/C(C)=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal?
The InChIKey is QELFRBYSVVMKBN-CWRCUQLCSA-N. The full InChI is InChI=1S/C17H25NO2/c1-15(8-6-10-16(2)14-19)9-7-11-17(20)18-12-4-3-5-13-18/h7,9-11,14H,3-6,8,12-13H2,1-2H3/b11-7+,15-9+,16-10+.
What are the key properties of (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal?
(2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal has a molecular weight of 275.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E)-2,6-dimethyl-10-oxo-10-piperidin-1-yldeca-2,6,8-trienal is sourced from PubChem (CID 44561510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).