2,2,6-trimethylhept-6-enamide

C10H19NO — CID 15311311

IUPAC2,2,6-trimethylhept-6-enamide
SMILESC=C(C)CCCC(C)(C)C(N)=O
InChIInChI=1S/C10H19NO/c1-8(2)6-5-7-10(3,4)9(11)12/h1,5-7H2,2-4H3,(H2,11,12)
InChIKeyYOKCYXZLVJSVKG-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.24
Rot. Bonds5

About 2,2,6-trimethylhept-6-enamide

2,2,6-trimethylhept-6-enamide (PubChem CID 15311311) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,2,6-trimethylhept-6-enamide.

Molecular Properties

Compound Name2,2,6-trimethylhept-6-enamide
PubChem CID15311311
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,2,6-trimethylhept-6-enamide
SMILESC=C(C)CCCC(C)(C)C(N)=O
InChIInChI=1S/C10H19NO/c1-8(2)6-5-7-10(3,4)9(11)12/h1,5-7H2,2-4H3,(H2,11,12)
InChIKeyYOKCYXZLVJSVKG-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethylhept-6-enamide?
The IUPAC name of 2,2,6-trimethylhept-6-enamide (CID 15311311) is 2,2,6-trimethylhept-6-enamide.
What is the SMILES notation for 2,2,6-trimethylhept-6-enamide?
The canonical SMILES for 2,2,6-trimethylhept-6-enamide is C=C(C)CCCC(C)(C)C(N)=O.
What is the InChIKey of 2,2,6-trimethylhept-6-enamide?
The InChIKey is YOKCYXZLVJSVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)6-5-7-10(3,4)9(11)12/h1,5-7H2,2-4H3,(H2,11,12).
What are the key properties of 2,2,6-trimethylhept-6-enamide?
2,2,6-trimethylhept-6-enamide has a molecular weight of 169.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethylhept-6-enamide is sourced from PubChem (CID 15311311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).