N-ethyl-N-hydroxyprop-2-enamide

C5H9NO2 — CID 19022461

IUPACN-ethyl-N-hydroxyprop-2-enamide
SMILESC=CC(=O)N(O)CC
InChIInChI=1S/C5H9NO2/c1-3-5(7)6(8)4-2/h3,8H,1,4H2,2H3
InChIKeyJPNTUZVTAHVHFB-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.41
Rot. Bonds2

About N-ethyl-N-hydroxyprop-2-enamide

N-ethyl-N-hydroxyprop-2-enamide (PubChem CID 19022461) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-ethyl-N-hydroxyprop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-hydroxyprop-2-enamide
PubChem CID19022461
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-ethyl-N-hydroxyprop-2-enamide
SMILESC=CC(=O)N(O)CC
InChIInChI=1S/C5H9NO2/c1-3-5(7)6(8)4-2/h3,8H,1,4H2,2H3
InChIKeyJPNTUZVTAHVHFB-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-hydroxyprop-2-enamide?
The IUPAC name of N-ethyl-N-hydroxyprop-2-enamide (CID 19022461) is N-ethyl-N-hydroxyprop-2-enamide.
What is the SMILES notation for N-ethyl-N-hydroxyprop-2-enamide?
The canonical SMILES for N-ethyl-N-hydroxyprop-2-enamide is C=CC(=O)N(O)CC.
What is the InChIKey of N-ethyl-N-hydroxyprop-2-enamide?
The InChIKey is JPNTUZVTAHVHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-5(7)6(8)4-2/h3,8H,1,4H2,2H3.
What are the key properties of N-ethyl-N-hydroxyprop-2-enamide?
N-ethyl-N-hydroxyprop-2-enamide has a molecular weight of 115.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hydroxyprop-2-enamide is sourced from PubChem (CID 19022461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).