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

C7H12NO9P — CID 174926926

IUPAC1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C1CCC(=O)N1O.O=P(O)(O)O
InChIInChI=1S/C4H5NO3.C3H4O2.H3O4P/c6-3-1-2-4(7)5(3)8;1-2-3(4)5;1-5(2,3)4/h8H,1-2H2;2H,1H2,(H,4,5);(H3,1,2,3,4)
InChIKeyUVRGFLWDOIEWBB-UHFFFAOYSA-N
MW285.15 g/mol
LogP-1.15
Rot. Bonds1

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

1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid (PubChem CID 174926926) has the molecular formula C7H12NO9P and a molecular weight of 285.15 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid
PubChem CID174926926
Molecular FormulaC7H12NO9P
Molecular Weight285.15 g/mol
Exact Mass285.02
IUPAC Name1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C1CCC(=O)N1O.O=P(O)(O)O
InChIInChI=1S/C4H5NO3.C3H4O2.H3O4P/c6-3-1-2-4(7)5(3)8;1-2-3(4)5;1-5(2,3)4/h8H,1-2H2;2H,1H2,(H,4,5);(H3,1,2,3,4)
InChIKeyUVRGFLWDOIEWBB-UHFFFAOYSA-N
XLogP-1.15
TPSA172.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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;phosphoric acid;prop-2-enoic acid?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid (CID 174926926) is 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid is C=CC(=O)O.O=C1CCC(=O)N1O.O=P(O)(O)O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid?
The InChIKey is UVRGFLWDOIEWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C3H4O2.H3O4P/c6-3-1-2-4(7)5(3)8;1-2-3(4)5;1-5(2,3)4/h8H,1-2H2;2H,1H2,(H,4,5);(H3,1,2,3,4).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid?
1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid has a molecular weight of 285.15 g/mol, XLogP of -1.15, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypyrrolidine-2,5-dione;phosphoric acid;prop-2-enoic acid is sourced from PubChem (CID 174926926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).