N-ethyl-2-(propanoylamino)but-3-enamide

C9H16N2O2 — CID 58636331

IUPACN-ethyl-2-(propanoylamino)but-3-enamide
SMILESC=CC(NC(=O)CC)C(=O)NCC
InChIInChI=1S/C9H16N2O2/c1-4-7(9(13)10-6-3)11-8(12)5-2/h4,7H,1,5-6H2,2-3H3,(H,10,13)(H,11,12)
InChIKeyFKYPYGWFELMDSO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds5

About N-ethyl-2-(propanoylamino)but-3-enamide

N-ethyl-2-(propanoylamino)but-3-enamide (PubChem CID 58636331) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-ethyl-2-(propanoylamino)but-3-enamide.

Molecular Properties

Compound NameN-ethyl-2-(propanoylamino)but-3-enamide
PubChem CID58636331
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-ethyl-2-(propanoylamino)but-3-enamide
SMILESC=CC(NC(=O)CC)C(=O)NCC
InChIInChI=1S/C9H16N2O2/c1-4-7(9(13)10-6-3)11-8(12)5-2/h4,7H,1,5-6H2,2-3H3,(H,10,13)(H,11,12)
InChIKeyFKYPYGWFELMDSO-UHFFFAOYSA-N
XLogP0.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-ethyl-2-(propanoylamino)but-3-enamide?
The IUPAC name of N-ethyl-2-(propanoylamino)but-3-enamide (CID 58636331) is N-ethyl-2-(propanoylamino)but-3-enamide.
What is the SMILES notation for N-ethyl-2-(propanoylamino)but-3-enamide?
The canonical SMILES for N-ethyl-2-(propanoylamino)but-3-enamide is C=CC(NC(=O)CC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(propanoylamino)but-3-enamide?
The InChIKey is FKYPYGWFELMDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-7(9(13)10-6-3)11-8(12)5-2/h4,7H,1,5-6H2,2-3H3,(H,10,13)(H,11,12).
What are the key properties of N-ethyl-2-(propanoylamino)but-3-enamide?
N-ethyl-2-(propanoylamino)but-3-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propanoylamino)but-3-enamide is sourced from PubChem (CID 58636331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).