N-acetyl-2-hydroxy-N-prop-2-enylacetamide

C7H11NO3 — CID 87854485

IUPACN-acetyl-2-hydroxy-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(=O)CO
InChIInChI=1S/C7H11NO3/c1-3-4-8(6(2)10)7(11)5-9/h3,9H,1,4-5H2,2H3
InChIKeyICFKJETVBPFLGN-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.46
Rot. Bonds3

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

N-acetyl-2-hydroxy-N-prop-2-enylacetamide (PubChem CID 87854485) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-acetyl-2-hydroxy-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-acetyl-2-hydroxy-N-prop-2-enylacetamide
PubChem CID87854485
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-acetyl-2-hydroxy-N-prop-2-enylacetamide
SMILESC=CCN(C(C)=O)C(=O)CO
InChIInChI=1S/C7H11NO3/c1-3-4-8(6(2)10)7(11)5-9/h3,9H,1,4-5H2,2H3
InChIKeyICFKJETVBPFLGN-UHFFFAOYSA-N
XLogP-0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-acetyl-2-hydroxy-N-prop-2-enylacetamide?
The IUPAC name of N-acetyl-2-hydroxy-N-prop-2-enylacetamide (CID 87854485) is N-acetyl-2-hydroxy-N-prop-2-enylacetamide.
What is the SMILES notation for N-acetyl-2-hydroxy-N-prop-2-enylacetamide?
The canonical SMILES for N-acetyl-2-hydroxy-N-prop-2-enylacetamide is C=CCN(C(C)=O)C(=O)CO.
What is the InChIKey of N-acetyl-2-hydroxy-N-prop-2-enylacetamide?
The InChIKey is ICFKJETVBPFLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-8(6(2)10)7(11)5-9/h3,9H,1,4-5H2,2H3.
What are the key properties of N-acetyl-2-hydroxy-N-prop-2-enylacetamide?
N-acetyl-2-hydroxy-N-prop-2-enylacetamide has a molecular weight of 157.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-hydroxy-N-prop-2-enylacetamide is sourced from PubChem (CID 87854485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).