1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid

C7H9NO5 — CID 66586225

IUPAC1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid
SMILESC=CC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C3H4O2/c6-3-1-2-4(7)5(3)8;1-2-3(4)5/h8H,1-2H2;2H,1H2,(H,4,5)
InChIKeyATXASKQIXAJYLM-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.22
Rot. Bonds1

About 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid

1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid (PubChem CID 66586225) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid
PubChem CID66586225
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid
SMILESC=CC(=O)O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C3H4O2/c6-3-1-2-4(7)5(3)8;1-2-3(4)5/h8H,1-2H2;2H,1H2,(H,4,5)
InChIKeyATXASKQIXAJYLM-UHFFFAOYSA-N
XLogP-0.22
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-enoic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid (CID 66586225) is 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid is C=CC(=O)O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid?
The InChIKey is ATXASKQIXAJYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C3H4O2/c6-3-1-2-4(7)5(3)8;1-2-3(4)5/h8H,1-2H2;2H,1H2,(H,4,5).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid?
1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid has a molecular weight of 187.15 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;prop-2-enoic acid is sourced from PubChem (CID 66586225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).