N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide

C7H11NO2 — CID 55298720

IUPACN-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide
SMILESCC(=O)N/C=C/C=C\CO
InChIInChI=1S/C7H11NO2/c1-7(10)8-5-3-2-4-6-9/h2-5,9H,6H2,1H3,(H,8,10)/b4-2-,5-3+
InChIKeyVPBXZKSNINFDMV-VOERYJCWSA-N
MW141.17 g/mol
LogP0.18
Rot. Bonds3

About N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide

N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide (PubChem CID 55298720) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide
PubChem CID55298720
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide
SMILESCC(=O)N/C=C/C=C\CO
InChIInChI=1S/C7H11NO2/c1-7(10)8-5-3-2-4-6-9/h2-5,9H,6H2,1H3,(H,8,10)/b4-2-,5-3+
InChIKeyVPBXZKSNINFDMV-VOERYJCWSA-N
XLogP0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
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-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide?
The IUPAC name of N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide (CID 55298720) is N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide is CC(=O)N/C=C/C=C\CO.
What is the InChIKey of N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide?
The InChIKey is VPBXZKSNINFDMV-VOERYJCWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(10)8-5-3-2-4-6-9/h2-5,9H,6H2,1H3,(H,8,10)/b4-2-,5-3+.
What are the key properties of N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide?
N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide has a molecular weight of 141.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-5-hydroxypenta-1,3-dienyl]acetamide is sourced from PubChem (CID 55298720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).