(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide

C16H23NO2 — CID 176792798

IUPAC(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide
SMILESC/C=C/C=C/C(=O)CCC/C=C/C(=O)NC=C(C)C
InChIInChI=1S/C16H23NO2/c1-4-5-7-10-15(18)11-8-6-9-12-16(19)17-13-14(2)3/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,17,19)/b5-4+,10-7+,12-9+
InChIKeyGKZSPFJNYPCDDP-JSWROATFSA-N
MW261.37 g/mol
LogP3.45
Rot. Bonds8

About (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide

(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide (PubChem CID 176792798) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide.

Molecular Properties

Compound Name(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide
PubChem CID176792798
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide
SMILESC/C=C/C=C/C(=O)CCC/C=C/C(=O)NC=C(C)C
InChIInChI=1S/C16H23NO2/c1-4-5-7-10-15(18)11-8-6-9-12-16(19)17-13-14(2)3/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,17,19)/b5-4+,10-7+,12-9+
InChIKeyGKZSPFJNYPCDDP-JSWROATFSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide?
The IUPAC name of (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide (CID 176792798) is (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide.
What is the SMILES notation for (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide?
The canonical SMILES for (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide is C/C=C/C=C/C(=O)CCC/C=C/C(=O)NC=C(C)C.
What is the InChIKey of (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide?
The InChIKey is GKZSPFJNYPCDDP-JSWROATFSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-5-7-10-15(18)11-8-6-9-12-16(19)17-13-14(2)3/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,17,19)/b5-4+,10-7+,12-9+.
What are the key properties of (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide?
(2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide has a molecular weight of 261.37 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,8E,10E)-N-(2-methylprop-1-enyl)-7-oxododeca-2,8,10-trienamide is sourced from PubChem (CID 176792798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).