sodium;prop-2-enamide;acetate

C5H8NNaO3 — CID 87656488

IUPACsodium;prop-2-enamide;acetate
SMILESC=CC(N)=O.CC(=O)[O-].[Na+]
InChIInChI=1S/C3H5NO.C2H4O2.Na/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H2,4,5);1H3,(H,3,4);/q;;+1/p-1
InChIKeyWWKDDEYHZACGOH-UHFFFAOYSA-M
MW153.11 g/mol
LogP-4.58
Rot. Bonds1

About sodium;prop-2-enamide;acetate

sodium;prop-2-enamide;acetate (PubChem CID 87656488) has the molecular formula C5H8NNaO3 and a molecular weight of 153.11 g/mol. Its IUPAC name is sodium;prop-2-enamide;acetate.

Molecular Properties

Compound Namesodium;prop-2-enamide;acetate
PubChem CID87656488
Molecular FormulaC5H8NNaO3
Molecular Weight153.11 g/mol
Exact Mass153.04
IUPAC Namesodium;prop-2-enamide;acetate
SMILESC=CC(N)=O.CC(=O)[O-].[Na+]
InChIInChI=1S/C3H5NO.C2H4O2.Na/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H2,4,5);1H3,(H,3,4);/q;;+1/p-1
InChIKeyWWKDDEYHZACGOH-UHFFFAOYSA-M
XLogP-4.58
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 5-4.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azanium;prop-2-enamide;acetate
CID 172806462
disodium;bis(prop-2-enamide);bis(prop-2-enoate)
CID 173417744
acetamide;prop-2-enamide
CID 158566181
disodium;propanamide;propanoate;prop-2-enamide;prop-2-enoate
CID 159964007
methanamine;prop-2-enamide;hydrate
CID 174696935
CID 118976628
CID 118976628
prop-2-enamide iodide
CID 19796963
prop-2-enamide;ruthenium
CID 90254548
disodium;but-2-enedioate;prop-2-enamide;prop-2-enoic acid
CID 173333490
potassium;prop-2-enamide;chloride
CID 161245795
molecular hydrogen;prop-2-enamide
CID 156651584
magnesium;prop-2-enamide;dihydroxide
CID 175298952

Frequently Asked Questions

What is the IUPAC name of sodium;prop-2-enamide;acetate?
The IUPAC name of sodium;prop-2-enamide;acetate (CID 87656488) is sodium;prop-2-enamide;acetate.
What is the SMILES notation for sodium;prop-2-enamide;acetate?
The canonical SMILES for sodium;prop-2-enamide;acetate is C=CC(N)=O.CC(=O)[O-].[Na+].
What is the InChIKey of sodium;prop-2-enamide;acetate?
The InChIKey is WWKDDEYHZACGOH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NO.C2H4O2.Na/c1-2-3(4)5;1-2(3)4;/h2H,1H2,(H2,4,5);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;prop-2-enamide;acetate?
sodium;prop-2-enamide;acetate has a molecular weight of 153.11 g/mol, XLogP of -4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-2-enamide;acetate is sourced from PubChem (CID 87656488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).