5-ethylhept-4-enamide

C9H17NO — CID 71431548

IUPAC5-ethylhept-4-enamide
SMILESCCC(=CCCC(N)=O)CC
InChIInChI=1S/C9H17NO/c1-3-8(4-2)6-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H2,10,11)
InChIKeyQIFZUJFISNRSJN-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.00
Rot. Bonds5

About 5-ethylhept-4-enamide

5-ethylhept-4-enamide (PubChem CID 71431548) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-ethylhept-4-enamide.

Molecular Properties

Compound Name5-ethylhept-4-enamide
PubChem CID71431548
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-ethylhept-4-enamide
SMILESCCC(=CCCC(N)=O)CC
InChIInChI=1S/C9H17NO/c1-3-8(4-2)6-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H2,10,11)
InChIKeyQIFZUJFISNRSJN-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.00
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 5-ethylhept-4-enamide?
The IUPAC name of 5-ethylhept-4-enamide (CID 71431548) is 5-ethylhept-4-enamide.
What is the SMILES notation for 5-ethylhept-4-enamide?
The canonical SMILES for 5-ethylhept-4-enamide is CCC(=CCCC(N)=O)CC.
What is the InChIKey of 5-ethylhept-4-enamide?
The InChIKey is QIFZUJFISNRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(4-2)6-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H2,10,11).
What are the key properties of 5-ethylhept-4-enamide?
5-ethylhept-4-enamide has a molecular weight of 155.24 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylhept-4-enamide is sourced from PubChem (CID 71431548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).