2-buta-2,3-dienylhexa-2,5-dienamide

C10H13NO — CID 175339365

IUPAC2-buta-2,3-dienylhexa-2,5-dienamide
SMILESC=C=CCC(=CCC=C)C(N)=O
InChIInChI=1S/C10H13NO/c1-3-5-7-9(10(11)12)8-6-4-2/h3,6-7H,1-2,5,8H2,(H2,11,12)
InChIKeyAWSWQUBHQHNYEF-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.71
Rot. Bonds5

About 2-buta-2,3-dienylhexa-2,5-dienamide

2-buta-2,3-dienylhexa-2,5-dienamide (PubChem CID 175339365) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-buta-2,3-dienylhexa-2,5-dienamide.

Molecular Properties

Compound Name2-buta-2,3-dienylhexa-2,5-dienamide
PubChem CID175339365
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-buta-2,3-dienylhexa-2,5-dienamide
SMILESC=C=CCC(=CCC=C)C(N)=O
InChIInChI=1S/C10H13NO/c1-3-5-7-9(10(11)12)8-6-4-2/h3,6-7H,1-2,5,8H2,(H2,11,12)
InChIKeyAWSWQUBHQHNYEF-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide
CID 90230508
(2Z)-2-ethenylhexa-2,5-dienamide
CID 156540432
methyl 2-oxohexa-4,5-dienoate
CID 164853093
cyano 2-methylhexa-2,5-dienoate
CID 173149992
cyano (2E)-2-methylhexa-2,5-dienoate
CID 87743267
(2E)-6-cyano-2-ethylocta-2,5,7-trienamide
CID 142229752
(2S,5S)-1-prop-2-enylpyrrolidine-2,5-dicarboxamide
CID 57408506
buta-2,3-dienyl prop-2-enoate
CID 91383520
azane;2-methylidenepent-4-enamide
CID 87195427
ethane;(2E)-2-ethylidenehex-5-enamide
CID 144971443
2-hydroxyethyl 2-methylhexa-2,5-dienoate
CID 57086729
sodium;but-3-enamide;hydride
CID 175440454

Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dienylhexa-2,5-dienamide?
The IUPAC name of 2-buta-2,3-dienylhexa-2,5-dienamide (CID 175339365) is 2-buta-2,3-dienylhexa-2,5-dienamide.
What is the SMILES notation for 2-buta-2,3-dienylhexa-2,5-dienamide?
The canonical SMILES for 2-buta-2,3-dienylhexa-2,5-dienamide is C=C=CCC(=CCC=C)C(N)=O.
What is the InChIKey of 2-buta-2,3-dienylhexa-2,5-dienamide?
The InChIKey is AWSWQUBHQHNYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-7-9(10(11)12)8-6-4-2/h3,6-7H,1-2,5,8H2,(H2,11,12).
What are the key properties of 2-buta-2,3-dienylhexa-2,5-dienamide?
2-buta-2,3-dienylhexa-2,5-dienamide has a molecular weight of 163.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dienylhexa-2,5-dienamide is sourced from PubChem (CID 175339365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).