1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate

C9H13NO5 — CID 69324568

IUPAC1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate
SMILESC=CCOC(C)=O.O=C1CCC(=O)N1O
InChIInChI=1S/C5H8O2.C4H5NO3/c1-3-4-7-5(2)6;6-3-1-2-4(7)5(3)8/h3H,1,4H2,2H3;8H,1-2H2
InChIKeyWIYWMHHUOKEONY-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.26
Rot. Bonds2

About 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate

1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate (PubChem CID 69324568) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate
PubChem CID69324568
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate
SMILESC=CCOC(C)=O.O=C1CCC(=O)N1O
InChIInChI=1S/C5H8O2.C4H5NO3/c1-3-4-7-5(2)6;6-3-1-2-4(7)5(3)8/h3H,1,4H2,2H3;8H,1-2H2
InChIKeyWIYWMHHUOKEONY-UHFFFAOYSA-N
XLogP0.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate (CID 69324568) is 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate is C=CCOC(C)=O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate?
The InChIKey is WIYWMHHUOKEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H5NO3/c1-3-4-7-5(2)6;6-3-1-2-4(7)5(3)8/h3H,1,4H2,2H3;8H,1-2H2.
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate?
1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate has a molecular weight of 215.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;prop-2-enyl acetate is sourced from PubChem (CID 69324568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).