N-ethyl-4-oxohex-5-enamide

C8H13NO2 — CID 147279818

IUPACN-ethyl-4-oxohex-5-enamide
SMILESC=CC(=O)CCC(=O)NCC
InChIInChI=1S/C8H13NO2/c1-3-7(10)5-6-8(11)9-4-2/h3H,1,4-6H2,2H3,(H,9,11)
InChIKeyCSBRKYLJURXUSP-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds5

About N-ethyl-4-oxohex-5-enamide

N-ethyl-4-oxohex-5-enamide (PubChem CID 147279818) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-4-oxohex-5-enamide.

Molecular Properties

Compound NameN-ethyl-4-oxohex-5-enamide
PubChem CID147279818
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-ethyl-4-oxohex-5-enamide
SMILESC=CC(=O)CCC(=O)NCC
InChIInChI=1S/C8H13NO2/c1-3-7(10)5-6-8(11)9-4-2/h3H,1,4-6H2,2H3,(H,9,11)
InChIKeyCSBRKYLJURXUSP-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 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 ≤ 50.66
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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Related Compounds

N-ethyl-6-methyl-4-oxohept-5-enamide
CID 90339098
N,N'-diethylnonanediamide
CID 89048639
N-ethylbutanamide;methanimine
CID 142280316
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
nonadec-1-en-3-one
CID 3326465
tritriacont-1-en-3-one
CID 153436316
9-trimethylsilylnon-1-en-3-one
CID 172735839
N,N'-diethylpropanediamide
CID 4600245
1,3-bis(4-oxohex-5-enyl)urea
CID 162231013
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N'-ethyldodecanediamide
CID 175230920

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxohex-5-enamide?
The IUPAC name of N-ethyl-4-oxohex-5-enamide (CID 147279818) is N-ethyl-4-oxohex-5-enamide.
What is the SMILES notation for N-ethyl-4-oxohex-5-enamide?
The canonical SMILES for N-ethyl-4-oxohex-5-enamide is C=CC(=O)CCC(=O)NCC.
What is the InChIKey of N-ethyl-4-oxohex-5-enamide?
The InChIKey is CSBRKYLJURXUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-7(10)5-6-8(11)9-4-2/h3H,1,4-6H2,2H3,(H,9,11).
What are the key properties of N-ethyl-4-oxohex-5-enamide?
N-ethyl-4-oxohex-5-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxohex-5-enamide is sourced from PubChem (CID 147279818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).