2,4-dimethylhepta-2,4-dienamide

C9H15NO — CID 90684610

IUPAC2,4-dimethylhepta-2,4-dienamide
SMILESCCC=C(C)C=C(C)C(N)=O
InChIInChI=1S/C9H15NO/c1-4-5-7(2)6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H2,10,11)
InChIKeyCGTMHMZHACBDBS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.77
Rot. Bonds3

About 2,4-dimethylhepta-2,4-dienamide

2,4-dimethylhepta-2,4-dienamide (PubChem CID 90684610) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2,4-dimethylhepta-2,4-dienamide.

Molecular Properties

Compound Name2,4-dimethylhepta-2,4-dienamide
PubChem CID90684610
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2,4-dimethylhepta-2,4-dienamide
SMILESCCC=C(C)C=C(C)C(N)=O
InChIInChI=1S/C9H15NO/c1-4-5-7(2)6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H2,10,11)
InChIKeyCGTMHMZHACBDBS-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.77
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-methylpent-2-enamide
CID 66895957
(2E,4Z)-2,4-dimethylhexa-2,4-dienamide
CID 143679852
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
2-methyl-4-methylidenehex-2-enamide
CID 123970755
(Z)-2-aminopent-2-enamide
CID 19089602
(E)-5-ethyl-2-methylhept-2-enamide
CID 140867486
(2E,4E,6R)-2,4,6-trimethyldeca-2,4-dienamide
CID 162953444
3,5-dimethylocta-3,5-diene
CID 54471932
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101
2,5-dimethylhept-2-enamide
CID 140547183
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
2-methylhex-2-enamide;hydrochloride
CID 141109029

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylhepta-2,4-dienamide?
The IUPAC name of 2,4-dimethylhepta-2,4-dienamide (CID 90684610) is 2,4-dimethylhepta-2,4-dienamide.
What is the SMILES notation for 2,4-dimethylhepta-2,4-dienamide?
The canonical SMILES for 2,4-dimethylhepta-2,4-dienamide is CCC=C(C)C=C(C)C(N)=O.
What is the InChIKey of 2,4-dimethylhepta-2,4-dienamide?
The InChIKey is CGTMHMZHACBDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-5-7(2)6-8(3)9(10)11/h5-6H,4H2,1-3H3,(H2,10,11).
What are the key properties of 2,4-dimethylhepta-2,4-dienamide?
2,4-dimethylhepta-2,4-dienamide has a molecular weight of 153.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylhepta-2,4-dienamide is sourced from PubChem (CID 90684610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).