2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one

C10H16N2O5S — CID 174159589

IUPAC2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one
SMILESC=C(CS(=O)(=O)O)C(N)=O.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H7NO4S/c1-2-7-5-3-4-6(7)8;1-3(4(5)6)2-10(7,8)9/h2H,1,3-5H2;1-2H2,(H2,5,6)(H,7,8,9)
InChIKeyQYBSMXAJOBBWKL-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.33
Rot. Bonds4

About 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one

2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one (PubChem CID 174159589) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one
PubChem CID174159589
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one
SMILESC=C(CS(=O)(=O)O)C(N)=O.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H7NO4S/c1-2-7-5-3-4-6(7)8;1-3(4(5)6)2-10(7,8)9/h2H,1,3-5H2;1-2H2,(H2,5,6)(H,7,8,9)
InChIKeyQYBSMXAJOBBWKL-UHFFFAOYSA-N
XLogP-0.33
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one?
The IUPAC name of 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one (CID 174159589) is 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one is C=C(CS(=O)(=O)O)C(N)=O.C=CN1CCCC1=O.
What is the InChIKey of 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one?
The InChIKey is QYBSMXAJOBBWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H7NO4S/c1-2-7-5-3-4-6(7)8;1-3(4(5)6)2-10(7,8)9/h2H,1,3-5H2;1-2H2,(H2,5,6)(H,7,8,9).
What are the key properties of 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one?
2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one has a molecular weight of 276.31 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylprop-2-ene-1-sulfonic acid;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 174159589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).