2-methylocta-3,5,7-trienamide

C9H13NO — CID 73413242

IUPAC2-methylocta-3,5,7-trienamide
SMILESC=CC=CC=CC(C)C(N)=O
InChIInChI=1S/C9H13NO/c1-3-4-5-6-7-8(2)9(10)11/h3-8H,1H2,2H3,(H2,10,11)
InChIKeyXXKYZDDFYYDWJV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.41
Rot. Bonds4

About 2-methylocta-3,5,7-trienamide

2-methylocta-3,5,7-trienamide (PubChem CID 73413242) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methylocta-3,5,7-trienamide.

Molecular Properties

Compound Name2-methylocta-3,5,7-trienamide
PubChem CID73413242
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methylocta-3,5,7-trienamide
SMILESC=CC=CC=CC(C)C(N)=O
InChIInChI=1S/C9H13NO/c1-3-4-5-6-7-8(2)9(10)11/h3-8H,1H2,2H3,(H2,10,11)
InChIKeyXXKYZDDFYYDWJV-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-hex-3-enamide
CID 15937545
2,5-Cyclohexadiene-1-carboxamide
CID 24977690
3-Pentenamide, (E)-
CID 53856717
1-Methyl-2,5-cyclohexadiene-1-carboxamide
CID 91614490
11-Tetradecatetraenamide
CID 129847889
12-Tetradecapentaenamide
CID 129847893
8-Decatrienamide
CID 129848103
(3E)-oct-3-enamide
CID 6041748
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(3Z,5Z)-5-fluoro-2-methyl-6-(trifluoromethyl)octa-3,5-dienamide
CID 89270020
4-Fluorocyclohepta-2,4,6-triene-1-carboxamide
CID 167262900
3-Fluorocyclopenta-2,4-diene-1-carboxamide
CID 170271404

Frequently Asked Questions

What is the IUPAC name of 2-methylocta-3,5,7-trienamide?
The IUPAC name of 2-methylocta-3,5,7-trienamide (CID 73413242) is 2-methylocta-3,5,7-trienamide.
What is the SMILES notation for 2-methylocta-3,5,7-trienamide?
The canonical SMILES for 2-methylocta-3,5,7-trienamide is C=CC=CC=CC(C)C(N)=O.
What is the InChIKey of 2-methylocta-3,5,7-trienamide?
The InChIKey is XXKYZDDFYYDWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-6-7-8(2)9(10)11/h3-8H,1H2,2H3,(H2,10,11).
What are the key properties of 2-methylocta-3,5,7-trienamide?
2-methylocta-3,5,7-trienamide has a molecular weight of 151.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylocta-3,5,7-trienamide is sourced from PubChem (CID 73413242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).