N-[(1Z,3Z)-penta-1,3-dienyl]acetamide

C7H11NO — CID 130315071

IUPACN-[(1Z,3Z)-penta-1,3-dienyl]acetamide
SMILESC/C=C\C=C/NC(C)=O
InChIInChI=1S/C7H11NO/c1-3-4-5-6-8-7(2)9/h3-6H,1-2H3,(H,8,9)/b4-3-,6-5-
InChIKeyFJBPWUVYXPPURL-OUPQRBNQSA-N
MW125.17 g/mol
LogP1.21
Rot. Bonds2

About N-[(1Z,3Z)-penta-1,3-dienyl]acetamide

N-[(1Z,3Z)-penta-1,3-dienyl]acetamide (PubChem CID 130315071) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-[(1Z,3Z)-penta-1,3-dienyl]acetamide.

Molecular Properties

Compound NameN-[(1Z,3Z)-penta-1,3-dienyl]acetamide
PubChem CID130315071
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-[(1Z,3Z)-penta-1,3-dienyl]acetamide
SMILESC/C=C\C=C/NC(C)=O
InChIInChI=1S/C7H11NO/c1-3-4-5-6-8-7(2)9/h3-6H,1-2H3,(H,8,9)/b4-3-,6-5-
InChIKeyFJBPWUVYXPPURL-OUPQRBNQSA-N
XLogP1.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(1Z,3Z)-penta-1,3-dienyl]acetamide?
The IUPAC name of N-[(1Z,3Z)-penta-1,3-dienyl]acetamide (CID 130315071) is N-[(1Z,3Z)-penta-1,3-dienyl]acetamide.
What is the SMILES notation for N-[(1Z,3Z)-penta-1,3-dienyl]acetamide?
The canonical SMILES for N-[(1Z,3Z)-penta-1,3-dienyl]acetamide is C/C=C\C=C/NC(C)=O.
What is the InChIKey of N-[(1Z,3Z)-penta-1,3-dienyl]acetamide?
The InChIKey is FJBPWUVYXPPURL-OUPQRBNQSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-5-6-8-7(2)9/h3-6H,1-2H3,(H,8,9)/b4-3-,6-5-.
What are the key properties of N-[(1Z,3Z)-penta-1,3-dienyl]acetamide?
N-[(1Z,3Z)-penta-1,3-dienyl]acetamide has a molecular weight of 125.17 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-penta-1,3-dienyl]acetamide is sourced from PubChem (CID 130315071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).