5-oxooct-6-enamide

C8H13NO2 — CID 123859165

IUPAC5-oxooct-6-enamide
SMILESCC=CC(=O)CCCC(N)=O
InChIInChI=1S/C8H13NO2/c1-2-4-7(10)5-3-6-8(9)11/h2,4H,3,5-6H2,1H3,(H2,9,11)
InChIKeyYICFWXRYVYGDMW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds5

About 5-oxooct-6-enamide

5-oxooct-6-enamide (PubChem CID 123859165) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-oxooct-6-enamide.

Molecular Properties

Compound Name5-oxooct-6-enamide
PubChem CID123859165
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-oxooct-6-enamide
SMILESCC=CC(=O)CCCC(N)=O
InChIInChI=1S/C8H13NO2/c1-2-4-7(10)5-3-6-8(9)11/h2,4H,3,5-6H2,1H3,(H2,9,11)
InChIKeyYICFWXRYVYGDMW-UHFFFAOYSA-N
XLogP0.79
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-oxooct-6-enamide?
The IUPAC name of 5-oxooct-6-enamide (CID 123859165) is 5-oxooct-6-enamide.
What is the SMILES notation for 5-oxooct-6-enamide?
The canonical SMILES for 5-oxooct-6-enamide is CC=CC(=O)CCCC(N)=O.
What is the InChIKey of 5-oxooct-6-enamide?
The InChIKey is YICFWXRYVYGDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-4-7(10)5-3-6-8(9)11/h2,4H,3,5-6H2,1H3,(H2,9,11).
What are the key properties of 5-oxooct-6-enamide?
5-oxooct-6-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxooct-6-enamide is sourced from PubChem (CID 123859165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).