1-prop-2-enylimidazolidin-2-one;sulfuric acid

C6H12N2O5S — CID 174800474

IUPAC1-prop-2-enylimidazolidin-2-one;sulfuric acid
SMILESC=CCN1CCNC1=O.O=S(=O)(O)O
InChIInChI=1S/C6H10N2O.H2O4S/c1-2-4-8-5-3-7-6(8)9;1-5(2,3)4/h2H,1,3-5H2,(H,7,9);(H2,1,2,3,4)
InChIKeyISXCCYXRVVLGDD-UHFFFAOYSA-N
MW224.24 g/mol
LogP-0.46
Rot. Bonds2

About 1-prop-2-enylimidazolidin-2-one;sulfuric acid

1-prop-2-enylimidazolidin-2-one;sulfuric acid (PubChem CID 174800474) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-prop-2-enylimidazolidin-2-one;sulfuric acid.

Molecular Properties

Compound Name1-prop-2-enylimidazolidin-2-one;sulfuric acid
PubChem CID174800474
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name1-prop-2-enylimidazolidin-2-one;sulfuric acid
SMILESC=CCN1CCNC1=O.O=S(=O)(O)O
InChIInChI=1S/C6H10N2O.H2O4S/c1-2-4-8-5-3-7-6(8)9;1-5(2,3)4/h2H,1,3-5H2,(H,7,9);(H2,1,2,3,4)
InChIKeyISXCCYXRVVLGDD-UHFFFAOYSA-N
XLogP-0.46
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylimidazolidin-2-one;sulfuric acid?
The IUPAC name of 1-prop-2-enylimidazolidin-2-one;sulfuric acid (CID 174800474) is 1-prop-2-enylimidazolidin-2-one;sulfuric acid.
What is the SMILES notation for 1-prop-2-enylimidazolidin-2-one;sulfuric acid?
The canonical SMILES for 1-prop-2-enylimidazolidin-2-one;sulfuric acid is C=CCN1CCNC1=O.O=S(=O)(O)O.
What is the InChIKey of 1-prop-2-enylimidazolidin-2-one;sulfuric acid?
The InChIKey is ISXCCYXRVVLGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.H2O4S/c1-2-4-8-5-3-7-6(8)9;1-5(2,3)4/h2H,1,3-5H2,(H,7,9);(H2,1,2,3,4).
What are the key properties of 1-prop-2-enylimidazolidin-2-one;sulfuric acid?
1-prop-2-enylimidazolidin-2-one;sulfuric acid has a molecular weight of 224.24 g/mol, XLogP of -0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylimidazolidin-2-one;sulfuric acid is sourced from PubChem (CID 174800474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).