N-formyl-2-hydroxy-N-prop-2-enylacetamide

C6H9NO3 — CID 87642316

IUPACN-formyl-2-hydroxy-N-prop-2-enylacetamide
SMILESC=CCN(C=O)C(=O)CO
InChIInChI=1S/C6H9NO3/c1-2-3-7(5-9)6(10)4-8/h2,5,8H,1,3-4H2
InChIKeyYYCKXPFXADOVAH-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.85
Rot. Bonds4

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

N-formyl-2-hydroxy-N-prop-2-enylacetamide (PubChem CID 87642316) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is N-formyl-2-hydroxy-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-formyl-2-hydroxy-N-prop-2-enylacetamide
PubChem CID87642316
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC NameN-formyl-2-hydroxy-N-prop-2-enylacetamide
SMILESC=CCN(C=O)C(=O)CO
InChIInChI=1S/C6H9NO3/c1-2-3-7(5-9)6(10)4-8/h2,5,8H,1,3-4H2
InChIKeyYYCKXPFXADOVAH-UHFFFAOYSA-N
XLogP-0.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-formyl-2-hydroxy-N-prop-2-enylacetamide?
The IUPAC name of N-formyl-2-hydroxy-N-prop-2-enylacetamide (CID 87642316) is N-formyl-2-hydroxy-N-prop-2-enylacetamide.
What is the SMILES notation for N-formyl-2-hydroxy-N-prop-2-enylacetamide?
The canonical SMILES for N-formyl-2-hydroxy-N-prop-2-enylacetamide is C=CCN(C=O)C(=O)CO.
What is the InChIKey of N-formyl-2-hydroxy-N-prop-2-enylacetamide?
The InChIKey is YYCKXPFXADOVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-3-7(5-9)6(10)4-8/h2,5,8H,1,3-4H2.
What are the key properties of N-formyl-2-hydroxy-N-prop-2-enylacetamide?
N-formyl-2-hydroxy-N-prop-2-enylacetamide has a molecular weight of 143.14 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-hydroxy-N-prop-2-enylacetamide is sourced from PubChem (CID 87642316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).