N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide

C10H11NO2 — CID 137398769

IUPACN-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide
SMILESC=C/C=C\C(=C/C=C)NC(=O)C=O
InChIInChI=1S/C10H11NO2/c1-3-5-7-9(6-4-2)11-10(13)8-12/h3-8H,1-2H2,(H,11,13)/b7-5-,9-6+
InChIKeyVOFPHRWXXMWZSD-XCZNYUDNSA-N
MW177.20 g/mol
LogP1.11
Rot. Bonds5

About N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide

N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide (PubChem CID 137398769) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide
PubChem CID137398769
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide
SMILESC=C/C=C\C(=C/C=C)NC(=O)C=O
InChIInChI=1S/C10H11NO2/c1-3-5-7-9(6-4-2)11-10(13)8-12/h3-8H,1-2H2,(H,11,13)/b7-5-,9-6+
InChIKeyVOFPHRWXXMWZSD-XCZNYUDNSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide?
The IUPAC name of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide (CID 137398769) is N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide?
The canonical SMILES for N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide is C=C/C=C\C(=C/C=C)NC(=O)C=O.
What is the InChIKey of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide?
The InChIKey is VOFPHRWXXMWZSD-XCZNYUDNSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-5-7-9(6-4-2)11-10(13)8-12/h3-8H,1-2H2,(H,11,13)/b7-5-,9-6+.
What are the key properties of N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide?
N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide has a molecular weight of 177.20 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-2-oxoacetamide is sourced from PubChem (CID 137398769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).