N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide

C11H15NO2 — CID 144531341

IUPACN-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
SMILESC=C/C=C(\C=C/C)N(C(C)=O)C(C)=O
InChIInChI=1S/C11H15NO2/c1-5-7-11(8-6-2)12(9(3)13)10(4)14/h5-8H,1H2,2-4H3/b8-6-,11-7+
InChIKeyZQCNDQOQQBAWAB-FAWHLJIPSA-N
MW193.25 g/mol
LogP2.03
Rot. Bonds3

About N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide

N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide (PubChem CID 144531341) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
PubChem CID144531341
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
SMILESC=C/C=C(\C=C/C)N(C(C)=O)C(C)=O
InChIInChI=1S/C11H15NO2/c1-5-7-11(8-6-2)12(9(3)13)10(4)14/h5-8H,1H2,2-4H3/b8-6-,11-7+
InChIKeyZQCNDQOQQBAWAB-FAWHLJIPSA-N
XLogP2.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
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-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
The IUPAC name of N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide (CID 144531341) is N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
The canonical SMILES for N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide is C=C/C=C(\C=C/C)N(C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
The InChIKey is ZQCNDQOQQBAWAB-FAWHLJIPSA-N. The full InChI is InChI=1S/C11H15NO2/c1-5-7-11(8-6-2)12(9(3)13)10(4)14/h5-8H,1H2,2-4H3/b8-6-,11-7+.
What are the key properties of N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide?
N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide is sourced from PubChem (CID 144531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).