sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide

C11H17N2NaO5S — CID 23690100

IUPACsodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide
SMILESC=CC(N)=O.C=CN1CCCC1=O.C=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C6H9NO.C3H5NO.C2H4O3S.Na/c1-2-7-5-3-4-6(7)8;1-2-3(4)5;1-2-6(3,4)5;/h2H,1,3-5H2;2H,1H2,(H2,4,5);2H,1H2,(H,3,4,5);/q;;;+1/p-1
InChIKeyWAIIRZJQKZDYGG-UHFFFAOYSA-M
MW312.32 g/mol
LogP-2.91
Rot. Bonds3

About sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide

sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide (PubChem CID 23690100) has the molecular formula C11H17N2NaO5S and a molecular weight of 312.32 g/mol. Its IUPAC name is sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide.

Molecular Properties

Compound Namesodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide
PubChem CID23690100
Molecular FormulaC11H17N2NaO5S
Molecular Weight312.32 g/mol
Exact Mass312.08
IUPAC Namesodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide
SMILESC=CC(N)=O.C=CN1CCCC1=O.C=CS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C6H9NO.C3H5NO.C2H4O3S.Na/c1-2-7-5-3-4-6(7)8;1-2-3(4)5;1-2-6(3,4)5;/h2H,1,3-5H2;2H,1H2,(H2,4,5);2H,1H2,(H,3,4,5);/q;;;+1/p-1
InChIKeyWAIIRZJQKZDYGG-UHFFFAOYSA-M
XLogP-2.91
TPSA120.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-2.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide?
The IUPAC name of sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide (CID 23690100) is sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide.
What is the SMILES notation for sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide?
The canonical SMILES for sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide is C=CC(N)=O.C=CN1CCCC1=O.C=CS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide?
The InChIKey is WAIIRZJQKZDYGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9NO.C3H5NO.C2H4O3S.Na/c1-2-7-5-3-4-6(7)8;1-2-3(4)5;1-2-6(3,4)5;/h2H,1,3-5H2;2H,1H2,(H2,4,5);2H,1H2,(H,3,4,5);/q;;;+1/p-1.
What are the key properties of sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide?
sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide has a molecular weight of 312.32 g/mol, XLogP of -2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethenesulfonate;1-ethenylpyrrolidin-2-one;prop-2-enamide is sourced from PubChem (CID 23690100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).