N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide

C10H15NO2 — CID 89381384

IUPACN-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide
SMILESC=C/C=C\C=C\OCCNC(C)=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-8-13-9-7-11-10(2)12/h3-6,8H,1,7,9H2,2H3,(H,11,12)/b5-4-,8-6+
InChIKeyBCLQKJFKVVFRMG-GSGSLZOQSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

About N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide

N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide (PubChem CID 89381384) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide
PubChem CID89381384
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide
SMILESC=C/C=C\C=C\OCCNC(C)=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-6-8-13-9-7-11-10(2)12/h3-6,8H,1,7,9H2,2H3,(H,11,12)/b5-4-,8-6+
InChIKeyBCLQKJFKVVFRMG-GSGSLZOQSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide?
The IUPAC name of N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide (CID 89381384) is N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide is C=C/C=C\C=C\OCCNC(C)=O.
What is the InChIKey of N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide?
The InChIKey is BCLQKJFKVVFRMG-GSGSLZOQSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-6-8-13-9-7-11-10(2)12/h3-6,8H,1,7,9H2,2H3,(H,11,12)/b5-4-,8-6+.
What are the key properties of N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide?
N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1E,3Z)-hexa-1,3,5-trienoxy]ethyl]acetamide is sourced from PubChem (CID 89381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).