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

C8H13NO — CID 143679852

IUPAC(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
SMILESC/C=C(C)\C=C(/C)C(N)=O
InChIInChI=1S/C8H13NO/c1-4-6(2)5-7(3)8(9)10/h4-5H,1-3H3,(H2,9,10)/b6-4-,7-5+
InChIKeyYUMVPRZDEXXHHK-XGXWUAJZSA-N
MW139.20 g/mol
LogP1.38
Rot. Bonds2

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

(2E,4Z)-2,4-dimethylhexa-2,4-dienamide (PubChem CID 143679852) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4Z)-2,4-dimethylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
PubChem CID143679852
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
SMILESC/C=C(C)\C=C(/C)C(N)=O
InChIInChI=1S/C8H13NO/c1-4-6(2)5-7(3)8(9)10/h4-5H,1-3H3,(H2,9,10)/b6-4-,7-5+
InChIKeyYUMVPRZDEXXHHK-XGXWUAJZSA-N
XLogP1.38
TPSA43.09 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 ≤ 51.38
H-Bond Donors ≤ 51
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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Related Compounds

2,4-dimethylhepta-2,4-dienamide
CID 90684610
azanium 4-amino-3-methyl-4-oxobut-2-enoate
CID 57371237
(2Z,4Z)-4-methylhexa-2,4-dien-2-amine
CID 126728104
(2Z,4Z,6Z)-3,4,6-trimethylocta-2,4,6-triene
CID 142039521
(2E)-4-chloro-2-methylpenta-2,4-dienamide
CID 88966274
2-methyl-4-methylidenehex-2-enamide
CID 123970755
6-hydroxy-2-methyl-4-oxohex-2-enamide
CID 140528223
3-fluoro-2-methylprop-2-enamide
CID 140678662
(2E,4E,6R)-2,4,6-trimethyldeca-2,4-dienamide
CID 162953444
(4Z,6Z)-4-amino-6-methyl-3-oxoocta-4,6-dienal
CID 144627907
(2E,4Z)-2-[(E)-but-2-en-2-yl]-4-methylhexa-2,4-dienoic acid
CID 142310927
2-bromo-4-methylhexa-2,4-diene
CID 76702782

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,4-dimethylhexa-2,4-dienamide?
The IUPAC name of (2E,4Z)-2,4-dimethylhexa-2,4-dienamide (CID 143679852) is (2E,4Z)-2,4-dimethylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-2,4-dimethylhexa-2,4-dienamide?
The canonical SMILES for (2E,4Z)-2,4-dimethylhexa-2,4-dienamide is C/C=C(C)\C=C(/C)C(N)=O.
What is the InChIKey of (2E,4Z)-2,4-dimethylhexa-2,4-dienamide?
The InChIKey is YUMVPRZDEXXHHK-XGXWUAJZSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6(2)5-7(3)8(9)10/h4-5H,1-3H3,(H2,9,10)/b6-4-,7-5+.
What are the key properties of (2E,4Z)-2,4-dimethylhexa-2,4-dienamide?
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,4-dimethylhexa-2,4-dienamide is sourced from PubChem (CID 143679852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).