sodium N-prop-1-en-2-ylacetamide

C5H8NNaO — CID 88798278

IUPACsodium N-prop-1-en-2-ylacetamide
SMILES[H]/[C-]=C(/C)NC(C)=O.[Na+]
InChIInChI=1S/C5H8NO.Na/c1-4(2)6-5(3)7;/h1H,2-3H3,(H,6,7);/q-1;+1
InChIKeyMWJMFKLEYJNGFW-UHFFFAOYSA-N
MW121.11 g/mol
LogP-2.54
Rot. Bonds1

About sodium N-prop-1-en-2-ylacetamide

sodium N-prop-1-en-2-ylacetamide (PubChem CID 88798278) has the molecular formula C5H8NNaO and a molecular weight of 121.11 g/mol. Its IUPAC name is sodium N-prop-1-en-2-ylacetamide.

Molecular Properties

Compound Namesodium N-prop-1-en-2-ylacetamide
PubChem CID88798278
Molecular FormulaC5H8NNaO
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Namesodium N-prop-1-en-2-ylacetamide
SMILES[H]/[C-]=C(/C)NC(C)=O.[Na+]
InChIInChI=1S/C5H8NO.Na/c1-4(2)6-5(3)7;/h1H,2-3H3,(H,6,7);/q-1;+1
InChIKeyMWJMFKLEYJNGFW-UHFFFAOYSA-N
XLogP-2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-2.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-prop-1-en-2-ylacetamide?
The IUPAC name of sodium N-prop-1-en-2-ylacetamide (CID 88798278) is sodium N-prop-1-en-2-ylacetamide.
What is the SMILES notation for sodium N-prop-1-en-2-ylacetamide?
The canonical SMILES for sodium N-prop-1-en-2-ylacetamide is [H]/[C-]=C(/C)NC(C)=O.[Na+].
What is the InChIKey of sodium N-prop-1-en-2-ylacetamide?
The InChIKey is MWJMFKLEYJNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO.Na/c1-4(2)6-5(3)7;/h1H,2-3H3,(H,6,7);/q-1;+1.
What are the key properties of sodium N-prop-1-en-2-ylacetamide?
sodium N-prop-1-en-2-ylacetamide has a molecular weight of 121.11 g/mol, XLogP of -2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-prop-1-en-2-ylacetamide is sourced from PubChem (CID 88798278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).