N-hexa-3,5-dienylacetamide

C8H13NO — CID 59663062

IUPACN-hexa-3,5-dienylacetamide
SMILESC=CC=CCCNC(C)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h3-5H,1,6-7H2,2H3,(H,9,10)
InChIKeyBXXOSUJLKJQKCE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.25
Rot. Bonds4

About N-hexa-3,5-dienylacetamide

N-hexa-3,5-dienylacetamide (PubChem CID 59663062) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-hexa-3,5-dienylacetamide.

Molecular Properties

Compound NameN-hexa-3,5-dienylacetamide
PubChem CID59663062
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-hexa-3,5-dienylacetamide
SMILESC=CC=CCCNC(C)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h3-5H,1,6-7H2,2H3,(H,9,10)
InChIKeyBXXOSUJLKJQKCE-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3Z,4Z)-3-ethylidenehepta-4,6-dienyl]acetamide
CID 122535321
N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
methyl hepta-4,6-dienoate
CID 53405107
N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
CID 107529943
trideca-5,7,10,12-tetraen-2-one
CID 175909143
N-(2-methylidenehexa-3,5-dienyl)acetamide
CID 123691592
undeca-8,10-diene-3,5-dione
CID 175508843
(3E)-8-methylnona-1,3,7-triene
CID 16752433
(2E,4E,8E)-N-(2-methylpropyl)undeca-2,4,8,10-tetraenamide
CID 132536757
N-(3-acetamidopropyl)acetamide
CID 5147555
(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
CID 22957036
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083

Frequently Asked Questions

What is the IUPAC name of N-hexa-3,5-dienylacetamide?
The IUPAC name of N-hexa-3,5-dienylacetamide (CID 59663062) is N-hexa-3,5-dienylacetamide.
What is the SMILES notation for N-hexa-3,5-dienylacetamide?
The canonical SMILES for N-hexa-3,5-dienylacetamide is C=CC=CCCNC(C)=O.
What is the InChIKey of N-hexa-3,5-dienylacetamide?
The InChIKey is BXXOSUJLKJQKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-6-7-9-8(2)10/h3-5H,1,6-7H2,2H3,(H,9,10).
What are the key properties of N-hexa-3,5-dienylacetamide?
N-hexa-3,5-dienylacetamide has a molecular weight of 139.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-3,5-dienylacetamide is sourced from PubChem (CID 59663062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).