N-hexa-1,5-dien-2-yl-N-propylacetamide

C₁₁H₁₉NO — CID 154931819

About N-hexa-1,5-dien-2-yl-N-propylacetamide

N-hexa-1,5-dien-2-yl-N-propylacetamide (PubChem CID 154931819) has the molecular formula C₁₁H₁₉NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-hexa-1,5-dien-2-yl-N-propylacetamide.

Molecular Properties

• Compound Name: N-hexa-1,5-dien-2-yl-N-propylacetamide
• PubChem CID: 154931819
• Molecular Formula: C₁₁H₁₉NO
• Molecular Weight: 181.28 g/mol
• Exact Mass: 181.15
• IUPAC Name: N-hexa-1,5-dien-2-yl-N-propylacetamide
• SMILES: C=CCCC(=C)N(CCC)C(C)=O
• InChI: InChI=1S/C11H19NO/c1-5-7-8-10(3)12(9-6-2)11(4)13/h5H,1,3,6-9H2,2,4H3
• InChIKey: MHPXNNBCMITDBT-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 20.31 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.28
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hexa-1,5-dien-2-yl-N-propylacetamide?

The IUPAC name of N-hexa-1,5-dien-2-yl-N-propylacetamide (CID 154931819) is N-hexa-1,5-dien-2-yl-N-propylacetamide.

What is the SMILES notation for N-hexa-1,5-dien-2-yl-N-propylacetamide?

The canonical SMILES for N-hexa-1,5-dien-2-yl-N-propylacetamide is C=CCCC(=C)N(CCC)C(C)=O.

What is the InChIKey of N-hexa-1,5-dien-2-yl-N-propylacetamide?

The InChIKey is MHPXNNBCMITDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-7-8-10(3)12(9-6-2)11(4)13/h5H,1,3,6-9H2,2,4H3.

What are the key properties of N-hexa-1,5-dien-2-yl-N-propylacetamide?

N-hexa-1,5-dien-2-yl-N-propylacetamide has a molecular weight of 181.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-hexa-1,5-dien-2-yl-N-propylacetamide is sourced from PubChem (CID 154931819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154931819 — identifiers, structure, computed properties (public domain)

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