ethene;1-hydroxypyrrolidine-2,5-dione

C6H9NO3 — CID 142301114

IUPACethene;1-hydroxypyrrolidine-2,5-dione
SMILESC=C.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C2H4/c6-3-1-2-4(7)5(3)8;1-2/h8H,1-2H2;1-2H2
InChIKeyLTBORMYIFWCQJZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.33
Rot. Bonds

About ethene;1-hydroxypyrrolidine-2,5-dione

ethene;1-hydroxypyrrolidine-2,5-dione (PubChem CID 142301114) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is ethene;1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethene;1-hydroxypyrrolidine-2,5-dione
PubChem CID142301114
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Nameethene;1-hydroxypyrrolidine-2,5-dione
SMILESC=C.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C2H4/c6-3-1-2-4(7)5(3)8;1-2/h8H,1-2H2;1-2H2
InChIKeyLTBORMYIFWCQJZ-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethene;1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of ethene;1-hydroxypyrrolidine-2,5-dione (CID 142301114) is ethene;1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for ethene;1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for ethene;1-hydroxypyrrolidine-2,5-dione is C=C.O=C1CCC(=O)N1O.
What is the InChIKey of ethene;1-hydroxypyrrolidine-2,5-dione?
The InChIKey is LTBORMYIFWCQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C2H4/c6-3-1-2-4(7)5(3)8;1-2/h8H,1-2H2;1-2H2.
What are the key properties of ethene;1-hydroxypyrrolidine-2,5-dione?
ethene;1-hydroxypyrrolidine-2,5-dione has a molecular weight of 143.14 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 142301114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).