3-hydroxy-N-prop-2-enylpropanamide

C6H11NO2 — CID 55299179

IUPAC3-hydroxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCO
InChIInChI=1S/C6H11NO2/c1-2-4-7-6(9)3-5-8/h2,8H,1,3-5H2,(H,7,9)
InChIKeyIIEGFVZNTANJTG-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.33
Rot. Bonds4

About 3-hydroxy-N-prop-2-enylpropanamide

3-hydroxy-N-prop-2-enylpropanamide (PubChem CID 55299179) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-hydroxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-hydroxy-N-prop-2-enylpropanamide
PubChem CID55299179
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-hydroxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCO
InChIInChI=1S/C6H11NO2/c1-2-4-7-6(9)3-5-8/h2,8H,1,3-5H2,(H,7,9)
InChIKeyIIEGFVZNTANJTG-UHFFFAOYSA-N
XLogP-0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.33
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 3-hydroxy-N-prop-2-enylpropanamide?
The IUPAC name of 3-hydroxy-N-prop-2-enylpropanamide (CID 55299179) is 3-hydroxy-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-hydroxy-N-prop-2-enylpropanamide?
The canonical SMILES for 3-hydroxy-N-prop-2-enylpropanamide is C=CCNC(=O)CCO.
What is the InChIKey of 3-hydroxy-N-prop-2-enylpropanamide?
The InChIKey is IIEGFVZNTANJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-4-7-6(9)3-5-8/h2,8H,1,3-5H2,(H,7,9).
What are the key properties of 3-hydroxy-N-prop-2-enylpropanamide?
3-hydroxy-N-prop-2-enylpropanamide has a molecular weight of 129.16 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 55299179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).