2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide

C17H23NO2 — CID 167338766

IUPAC2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\C=C)CNC(=O)COC1C#CCCCCC1
InChIInChI=1S/C17H23NO2/c1-3-10-15(4-2)13-18-17(19)14-20-16-11-8-6-5-7-9-12-16/h3-4,10,16H,1-2,5-8,11,13-14H2,(H,18,19)/b15-10+
InChIKeyKZMBFHXEALTBDY-XNTDXEJSSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds7

About 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide

2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide (PubChem CID 167338766) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide.

Molecular Properties

Compound Name2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
PubChem CID167338766
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide
SMILESC=C/C=C(\C=C)CNC(=O)COC1C#CCCCCC1
InChIInChI=1S/C17H23NO2/c1-3-10-15(4-2)13-18-17(19)14-20-16-11-8-6-5-7-9-12-16/h3-4,10,16H,1-2,5-8,11,13-14H2,(H,18,19)/b15-10+
InChIKeyKZMBFHXEALTBDY-XNTDXEJSSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
The IUPAC name of 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide (CID 167338766) is 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide.
What is the SMILES notation for 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
The canonical SMILES for 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide is C=C/C=C(\C=C)CNC(=O)COC1C#CCCCCC1.
What is the InChIKey of 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
The InChIKey is KZMBFHXEALTBDY-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-10-15(4-2)13-18-17(19)14-20-16-11-8-6-5-7-9-12-16/h3-4,10,16H,1-2,5-8,11,13-14H2,(H,18,19)/b15-10+.
What are the key properties of 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide?
2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-2-yn-1-yloxy-N-[(2E)-2-ethenylpenta-2,4-dienyl]acetamide is sourced from PubChem (CID 167338766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).