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

C8H15NO2 — CID 62678716

IUPACN-ethyl-N-(2-hydroxyethyl)but-3-enamide
SMILESC=CCC(=O)N(CC)CCO
InChIInChI=1S/C8H15NO2/c1-3-5-8(11)9(4-2)6-7-10/h3,10H,1,4-7H2,2H3
InChIKeyWRSJCFIIIWHDJP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.40
Rot. Bonds5

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

N-ethyl-N-(2-hydroxyethyl)but-3-enamide (PubChem CID 62678716) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)but-3-enamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)but-3-enamide
PubChem CID62678716
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)but-3-enamide
SMILESC=CCC(=O)N(CC)CCO
InChIInChI=1S/C8H15NO2/c1-3-5-8(11)9(4-2)6-7-10/h3,10H,1,4-7H2,2H3
InChIKeyWRSJCFIIIWHDJP-UHFFFAOYSA-N
XLogP0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
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-N-(2-hydroxyethyl)but-3-enamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)but-3-enamide (CID 62678716) is N-ethyl-N-(2-hydroxyethyl)but-3-enamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)but-3-enamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)but-3-enamide is C=CCC(=O)N(CC)CCO.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)but-3-enamide?
The InChIKey is WRSJCFIIIWHDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-8(11)9(4-2)6-7-10/h3,10H,1,4-7H2,2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)but-3-enamide?
N-ethyl-N-(2-hydroxyethyl)but-3-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)but-3-enamide is sourced from PubChem (CID 62678716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).