N-[(3E)-hexa-3,5-dien-3-yl]acetamide

C8H13NO — CID 147673295

IUPACN-[(3E)-hexa-3,5-dien-3-yl]acetamide
SMILESC=C/C=C(\CC)NC(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-8(5-2)9-7(3)10/h4,6H,1,5H2,2-3H3,(H,9,10)/b8-6+
InChIKeyGNQXVURNYAONAY-SOFGYWHQSA-N
MW139.20 g/mol
LogP1.60
Rot. Bonds3

About N-[(3E)-hexa-3,5-dien-3-yl]acetamide

N-[(3E)-hexa-3,5-dien-3-yl]acetamide (PubChem CID 147673295) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(3E)-hexa-3,5-dien-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3E)-hexa-3,5-dien-3-yl]acetamide
PubChem CID147673295
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-[(3E)-hexa-3,5-dien-3-yl]acetamide
SMILESC=C/C=C(\CC)NC(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-8(5-2)9-7(3)10/h4,6H,1,5H2,2-3H3,(H,9,10)/b8-6+
InChIKeyGNQXVURNYAONAY-SOFGYWHQSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[(3E)-hexa-3,5-dien-3-yl]acetamide?
The IUPAC name of N-[(3E)-hexa-3,5-dien-3-yl]acetamide (CID 147673295) is N-[(3E)-hexa-3,5-dien-3-yl]acetamide.
What is the SMILES notation for N-[(3E)-hexa-3,5-dien-3-yl]acetamide?
The canonical SMILES for N-[(3E)-hexa-3,5-dien-3-yl]acetamide is C=C/C=C(\CC)NC(C)=O.
What is the InChIKey of N-[(3E)-hexa-3,5-dien-3-yl]acetamide?
The InChIKey is GNQXVURNYAONAY-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-8(5-2)9-7(3)10/h4,6H,1,5H2,2-3H3,(H,9,10)/b8-6+.
What are the key properties of N-[(3E)-hexa-3,5-dien-3-yl]acetamide?
N-[(3E)-hexa-3,5-dien-3-yl]acetamide has a molecular weight of 139.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-hexa-3,5-dien-3-yl]acetamide is sourced from PubChem (CID 147673295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).