2-hydroxy-N-prop-2-enylacetamide

C5H9NO2 — CID 10997000

IUPAC2-hydroxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CO
InChIInChI=1S/C5H9NO2/c1-2-3-6-5(8)4-7/h2,7H,1,3-4H2,(H,6,8)
InChIKeyLYRWBZKKWOABKY-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.72
Rot. Bonds3

About 2-hydroxy-N-prop-2-enylacetamide

2-hydroxy-N-prop-2-enylacetamide (PubChem CID 10997000) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-hydroxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-prop-2-enylacetamide
PubChem CID10997000
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-hydroxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CO
InChIInChI=1S/C5H9NO2/c1-2-3-6-5(8)4-7/h2,7H,1,3-4H2,(H,6,8)
InChIKeyLYRWBZKKWOABKY-UHFFFAOYSA-N
XLogP-0.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.72
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 2-hydroxy-N-prop-2-enylacetamide?
The IUPAC name of 2-hydroxy-N-prop-2-enylacetamide (CID 10997000) is 2-hydroxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2-hydroxy-N-prop-2-enylacetamide?
The canonical SMILES for 2-hydroxy-N-prop-2-enylacetamide is C=CCNC(=O)CO.
What is the InChIKey of 2-hydroxy-N-prop-2-enylacetamide?
The InChIKey is LYRWBZKKWOABKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-3-6-5(8)4-7/h2,7H,1,3-4H2,(H,6,8).
What are the key properties of 2-hydroxy-N-prop-2-enylacetamide?
2-hydroxy-N-prop-2-enylacetamide has a molecular weight of 115.13 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-prop-2-enylacetamide is sourced from PubChem (CID 10997000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).