N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide

C12H19NO2 — CID 166967437

IUPACN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)CCOC
InChIInChI=1S/C12H19NO2/c1-4-6-7-11(5-2)10-13-12(14)8-9-15-3/h4-7H,1,8-10H2,2-3H3,(H,13,14)/b7-6-,11-5+
InChIKeyJJQQVWARJSYMMX-TUKAJDRUSA-N
MW209.29 g/mol
LogP1.83
Rot. Bonds7

About N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide

N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide (PubChem CID 166967437) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide
PubChem CID166967437
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide
SMILESC=C/C=C\C(=C/C)CNC(=O)CCOC
InChIInChI=1S/C12H19NO2/c1-4-6-7-11(5-2)10-13-12(14)8-9-15-3/h4-7H,1,8-10H2,2-3H3,(H,13,14)/b7-6-,11-5+
InChIKeyJJQQVWARJSYMMX-TUKAJDRUSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide?
The IUPAC name of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide (CID 166967437) is N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide.
What is the SMILES notation for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide?
The canonical SMILES for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide is C=C/C=C\C(=C/C)CNC(=O)CCOC.
What is the InChIKey of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide?
The InChIKey is JJQQVWARJSYMMX-TUKAJDRUSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-6-7-11(5-2)10-13-12(14)8-9-15-3/h4-7H,1,8-10H2,2-3H3,(H,13,14)/b7-6-,11-5+.
What are the key properties of N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide?
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide has a molecular weight of 209.29 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-3-methoxypropanamide is sourced from PubChem (CID 166967437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).