ethyl prop-2-eneperoxoate;imidazolidin-2-one

C8H14N2O4 — CID 175137257

IUPACethyl prop-2-eneperoxoate;imidazolidin-2-one
SMILESC=CC(=O)OOCC.O=C1NCCN1
InChIInChI=1S/C5H8O3.C3H6N2O/c1-3-5(6)8-7-4-2;6-3-4-1-2-5-3/h3H,1,4H2,2H3;1-2H2,(H2,4,5,6)
InChIKeyVGCYCZKUMHFTJJ-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.03
Rot. Bonds3

About ethyl prop-2-eneperoxoate;imidazolidin-2-one

ethyl prop-2-eneperoxoate;imidazolidin-2-one (PubChem CID 175137257) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl prop-2-eneperoxoate;imidazolidin-2-one.

Molecular Properties

Compound Nameethyl prop-2-eneperoxoate;imidazolidin-2-one
PubChem CID175137257
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl prop-2-eneperoxoate;imidazolidin-2-one
SMILESC=CC(=O)OOCC.O=C1NCCN1
InChIInChI=1S/C5H8O3.C3H6N2O/c1-3-5(6)8-7-4-2;6-3-4-1-2-5-3/h3H,1,4H2,2H3;1-2H2,(H2,4,5,6)
InChIKeyVGCYCZKUMHFTJJ-UHFFFAOYSA-N
XLogP-0.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethyl prop-2-eneperoxoate
CID 18352416
2,2-dimethylpropane-1,3-diol;bis(ethyl prop-2-eneperoxoate)
CID 159398856
ethoxyethane;imidazolidin-2-one
CID 143640970
imidazolidin-2-one;methanol
CID 174820792
ethyl 2-oxoethaneperoxoate
CID 18324539
decyl prop-2-eneperoxoate
CID 151851991
formaldehyde;imidazolidin-2-one
CID 69129198
(2-hydroxy-3-prop-2-enoylperoxypropyl)-trimethylazanium chloride
CID 172827450
trimethyl(3-prop-2-enoylperoxypropyl)azanium chloride
CID 160777971
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-eneperoxoate;imidazolidin-2-one?
The IUPAC name of ethyl prop-2-eneperoxoate;imidazolidin-2-one (CID 175137257) is ethyl prop-2-eneperoxoate;imidazolidin-2-one.
What is the SMILES notation for ethyl prop-2-eneperoxoate;imidazolidin-2-one?
The canonical SMILES for ethyl prop-2-eneperoxoate;imidazolidin-2-one is C=CC(=O)OOCC.O=C1NCCN1.
What is the InChIKey of ethyl prop-2-eneperoxoate;imidazolidin-2-one?
The InChIKey is VGCYCZKUMHFTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C3H6N2O/c1-3-5(6)8-7-4-2;6-3-4-1-2-5-3/h3H,1,4H2,2H3;1-2H2,(H2,4,5,6).
What are the key properties of ethyl prop-2-eneperoxoate;imidazolidin-2-one?
ethyl prop-2-eneperoxoate;imidazolidin-2-one has a molecular weight of 202.21 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-eneperoxoate;imidazolidin-2-one is sourced from PubChem (CID 175137257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).