N-[(2E,6Z)-nona-2,6-dienyl]acetamide

C11H19NO — CID 11579226

IUPACN-[(2E,6Z)-nona-2,6-dienyl]acetamide
SMILESCC/C=C\CC/C=C/CNC(C)=O
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,12,13)/b5-4-,9-8+
InChIKeyZSTOSGAUSBVZCU-FTGFODROSA-N
MW181.28 g/mol
LogP2.43
Rot. Bonds6

About N-[(2E,6Z)-nona-2,6-dienyl]acetamide

N-[(2E,6Z)-nona-2,6-dienyl]acetamide (PubChem CID 11579226) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(2E,6Z)-nona-2,6-dienyl]acetamide.

Molecular Properties

Compound NameN-[(2E,6Z)-nona-2,6-dienyl]acetamide
PubChem CID11579226
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(2E,6Z)-nona-2,6-dienyl]acetamide
SMILESCC/C=C\CC/C=C/CNC(C)=O
InChIInChI=1S/C11H19NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,12,13)/b5-4-,9-8+
InChIKeyZSTOSGAUSBVZCU-FTGFODROSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,6Z)-nona-2,6-dienyl]acetamide?
The IUPAC name of N-[(2E,6Z)-nona-2,6-dienyl]acetamide (CID 11579226) is N-[(2E,6Z)-nona-2,6-dienyl]acetamide.
What is the SMILES notation for N-[(2E,6Z)-nona-2,6-dienyl]acetamide?
The canonical SMILES for N-[(2E,6Z)-nona-2,6-dienyl]acetamide is CC/C=C\CC/C=C/CNC(C)=O.
What is the InChIKey of N-[(2E,6Z)-nona-2,6-dienyl]acetamide?
The InChIKey is ZSTOSGAUSBVZCU-FTGFODROSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-6-7-8-9-10-12-11(2)13/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,12,13)/b5-4-,9-8+.
What are the key properties of N-[(2E,6Z)-nona-2,6-dienyl]acetamide?
N-[(2E,6Z)-nona-2,6-dienyl]acetamide has a molecular weight of 181.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6Z)-nona-2,6-dienyl]acetamide is sourced from PubChem (CID 11579226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).