N-hexa-2,4-dien-3-ylacetamide

C8H13NO — CID 90871409

IUPACN-hexa-2,4-dien-3-ylacetamide
SMILESCC=CC(=CC)NC(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-8(5-2)9-7(3)10/h4-6H,1-3H3,(H,9,10)
InChIKeyPWSFXKHELQGYFG-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds2

About N-hexa-2,4-dien-3-ylacetamide

N-hexa-2,4-dien-3-ylacetamide (PubChem CID 90871409) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-hexa-2,4-dien-3-ylacetamide.

Molecular Properties

Compound NameN-hexa-2,4-dien-3-ylacetamide
PubChem CID90871409
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-hexa-2,4-dien-3-ylacetamide
SMILESCC=CC(=CC)NC(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-8(5-2)9-7(3)10/h4-6H,1-3H3,(H,9,10)
InChIKeyPWSFXKHELQGYFG-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.60
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-hexa-2,4-dien-3-ylacetamide?
The IUPAC name of N-hexa-2,4-dien-3-ylacetamide (CID 90871409) is N-hexa-2,4-dien-3-ylacetamide.
What is the SMILES notation for N-hexa-2,4-dien-3-ylacetamide?
The canonical SMILES for N-hexa-2,4-dien-3-ylacetamide is CC=CC(=CC)NC(C)=O.
What is the InChIKey of N-hexa-2,4-dien-3-ylacetamide?
The InChIKey is PWSFXKHELQGYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-8(5-2)9-7(3)10/h4-6H,1-3H3,(H,9,10).
What are the key properties of N-hexa-2,4-dien-3-ylacetamide?
N-hexa-2,4-dien-3-ylacetamide has a molecular weight of 139.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-2,4-dien-3-ylacetamide is sourced from PubChem (CID 90871409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).