(2E,4E)-N,N-dimethylhexa-2,4-dienamide

C8H13NO — CID 12892836

IUPAC(2E,4E)-N,N-dimethylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)C
InChIInChI=1S/C8H13NO/c1-4-5-6-7-8(10)9(2)3/h4-7H,1-3H3/b5-4+,7-6+
InChIKeySKGUEMWEQXOTQA-YTXTXJHMSA-N
MW139.20 g/mol
LogP1.21
Rot. Bonds2

About (2E,4E)-N,N-dimethylhexa-2,4-dienamide

(2E,4E)-N,N-dimethylhexa-2,4-dienamide (PubChem CID 12892836) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4E)-N,N-dimethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N,N-dimethylhexa-2,4-dienamide
PubChem CID12892836
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4E)-N,N-dimethylhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(C)C
InChIInChI=1S/C8H13NO/c1-4-5-6-7-8(10)9(2)3/h4-7H,1-3H3/b5-4+,7-6+
InChIKeySKGUEMWEQXOTQA-YTXTXJHMSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,N-dimethylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N,N-dimethylhexa-2,4-dienamide (CID 12892836) is (2E,4E)-N,N-dimethylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N,N-dimethylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N,N-dimethylhexa-2,4-dienamide is C/C=C/C=C/C(=O)N(C)C.
What is the InChIKey of (2E,4E)-N,N-dimethylhexa-2,4-dienamide?
The InChIKey is SKGUEMWEQXOTQA-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-6-7-8(10)9(2)3/h4-7H,1-3H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-N,N-dimethylhexa-2,4-dienamide?
(2E,4E)-N,N-dimethylhexa-2,4-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-dimethylhexa-2,4-dienamide is sourced from PubChem (CID 12892836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).