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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Related Compounds

2-(2-oxoimidazolidin-1-yl)acetaldehyde
CID 19031600
N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
CID 3021104
1-(2-methylprop-2-enyl)imidazolidin-2-one
CID 114619407
1-(2,2-difluoroethyl)imidazolidin-2-one
CID 87326984
2-(nitromethylidene)-1-prop-2-enylimidazolidine
CID 70251274
1-ethylimidazolidin-2-one;hydrochloride
CID 21472714
3-prop-2-enyl-1,3-oxazolidin-2-one;silane
CID 175362572
1-[[fluoro(dihydroxy)silyl]methyl]imidazolidin-2-one
CID 166544686
1-(2-fluoroethyl)imidazolidin-2-one
CID 87326772
(2E)-1-phenyl-2-(1-prop-2-enylimidazolidin-2-ylidene)ethanone
CID 10466329
1-[2-[(3-hydroxy-3-prop-2-enoxypropyl)amino]ethyl]imidazolidin-2-one
CID 130421996
N,N-dimethyl-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
CID 106338296

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).