ethane;3-hydroxypyrrolidine-2,5-dione

C6H11NO3 — CID 175317402

IUPACethane;3-hydroxypyrrolidine-2,5-dione
SMILESCC.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.C2H6/c6-2-1-3(7)5-4(2)8;1-2/h2,6H,1H2,(H,5,7,8);1-2H3
InChIKeyIEQBUWBJGMCDHN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.58
Rot. Bonds

About ethane;3-hydroxypyrrolidine-2,5-dione

ethane;3-hydroxypyrrolidine-2,5-dione (PubChem CID 175317402) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethane;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;3-hydroxypyrrolidine-2,5-dione
PubChem CID175317402
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethane;3-hydroxypyrrolidine-2,5-dione
SMILESCC.O=C1CC(O)C(=O)N1
InChIInChI=1S/C4H5NO3.C2H6/c6-2-1-3(7)5-4(2)8;1-2/h2,6H,1H2,(H,5,7,8);1-2H3
InChIKeyIEQBUWBJGMCDHN-UHFFFAOYSA-N
XLogP-0.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of ethane;3-hydroxypyrrolidine-2,5-dione (CID 175317402) is ethane;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for ethane;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for ethane;3-hydroxypyrrolidine-2,5-dione is CC.O=C1CC(O)C(=O)N1.
What is the InChIKey of ethane;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is IEQBUWBJGMCDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C2H6/c6-2-1-3(7)5-4(2)8;1-2/h2,6H,1H2,(H,5,7,8);1-2H3.
What are the key properties of ethane;3-hydroxypyrrolidine-2,5-dione?
ethane;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 145.16 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 175317402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).