N-penta-2,4-dienyl-N-prop-2-enylacetamide

C10H15NO — CID 54405580

IUPACN-penta-2,4-dienyl-N-prop-2-enylacetamide
SMILESC=CC=CCN(CC=C)C(C)=O
InChIInChI=1S/C10H15NO/c1-4-6-7-9-11(8-5-2)10(3)12/h4-7H,1-2,8-9H2,3H3
InChIKeyVQLHPQZBUBEIBX-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.76
Rot. Bonds5

About N-penta-2,4-dienyl-N-prop-2-enylacetamide

N-penta-2,4-dienyl-N-prop-2-enylacetamide (PubChem CID 54405580) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-penta-2,4-dienyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-penta-2,4-dienyl-N-prop-2-enylacetamide
PubChem CID54405580
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-penta-2,4-dienyl-N-prop-2-enylacetamide
SMILESC=CC=CCN(CC=C)C(C)=O
InChIInChI=1S/C10H15NO/c1-4-6-7-9-11(8-5-2)10(3)12/h4-7H,1-2,8-9H2,3H3
InChIKeyVQLHPQZBUBEIBX-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-penta-2,4-dienyl-N-prop-2-enylacetamide?
The IUPAC name of N-penta-2,4-dienyl-N-prop-2-enylacetamide (CID 54405580) is N-penta-2,4-dienyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-penta-2,4-dienyl-N-prop-2-enylacetamide?
The canonical SMILES for N-penta-2,4-dienyl-N-prop-2-enylacetamide is C=CC=CCN(CC=C)C(C)=O.
What is the InChIKey of N-penta-2,4-dienyl-N-prop-2-enylacetamide?
The InChIKey is VQLHPQZBUBEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-9-11(8-5-2)10(3)12/h4-7H,1-2,8-9H2,3H3.
What are the key properties of N-penta-2,4-dienyl-N-prop-2-enylacetamide?
N-penta-2,4-dienyl-N-prop-2-enylacetamide has a molecular weight of 165.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-penta-2,4-dienyl-N-prop-2-enylacetamide is sourced from PubChem (CID 54405580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).