2-methylhepta-2,4-dienamide

C8H13NO — CID 57222173

IUPAC2-methylhepta-2,4-dienamide
SMILESCCC=CC=C(C)C(N)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7(2)8(9)10/h4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyGJOKVXGJXOOPCN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.38
Rot. Bonds3

About 2-methylhepta-2,4-dienamide

2-methylhepta-2,4-dienamide (PubChem CID 57222173) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methylhepta-2,4-dienamide.

Molecular Properties

Compound Name2-methylhepta-2,4-dienamide
PubChem CID57222173
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methylhepta-2,4-dienamide
SMILESCCC=CC=C(C)C(N)=O
InChIInChI=1S/C8H13NO/c1-3-4-5-6-7(2)8(9)10/h4-6H,3H2,1-2H3,(H2,9,10)
InChIKeyGJOKVXGJXOOPCN-UHFFFAOYSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methylhepta-2,4-dienamide?
The IUPAC name of 2-methylhepta-2,4-dienamide (CID 57222173) is 2-methylhepta-2,4-dienamide.
What is the SMILES notation for 2-methylhepta-2,4-dienamide?
The canonical SMILES for 2-methylhepta-2,4-dienamide is CCC=CC=C(C)C(N)=O.
What is the InChIKey of 2-methylhepta-2,4-dienamide?
The InChIKey is GJOKVXGJXOOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-6-7(2)8(9)10/h4-6H,3H2,1-2H3,(H2,9,10).
What are the key properties of 2-methylhepta-2,4-dienamide?
2-methylhepta-2,4-dienamide has a molecular weight of 139.20 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhepta-2,4-dienamide is sourced from PubChem (CID 57222173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).