1-hydroxypyrrolidine-2,5-dione;prop-2-enamide

C7H10N2O4 — CID 67303287

IUPAC1-hydroxypyrrolidine-2,5-dione;prop-2-enamide
SMILESC=CC(N)=O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C3H5NO/c6-3-1-2-4(7)5(3)8;1-2-3(4)5/h8H,1-2H2;2H,1H2,(H2,4,5)
InChIKeySBULMKLVWHBKMR-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.82
Rot. Bonds1

About 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide

1-hydroxypyrrolidine-2,5-dione;prop-2-enamide (PubChem CID 67303287) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide.

Molecular Properties

Compound Name1-hydroxypyrrolidine-2,5-dione;prop-2-enamide
PubChem CID67303287
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name1-hydroxypyrrolidine-2,5-dione;prop-2-enamide
SMILESC=CC(N)=O.O=C1CCC(=O)N1O
InChIInChI=1S/C4H5NO3.C3H5NO/c6-3-1-2-4(7)5(3)8;1-2-3(4)5/h8H,1-2H2;2H,1H2,(H2,4,5)
InChIKeySBULMKLVWHBKMR-UHFFFAOYSA-N
XLogP-0.82
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.82
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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Related Compounds

1-Hydroxypyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19989411
Prop-2-enamide;pyrrolidine-2,5-dione
CID 141499533
N'-hydroxy-N'-prop-2-enoylbutanediamide
CID 151385542
N'-hydroxybutanediamide;pyrrole-2,5-dione
CID 159614387

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide?
The IUPAC name of 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide (CID 67303287) is 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide.
What is the SMILES notation for 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide?
The canonical SMILES for 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide is C=CC(N)=O.O=C1CCC(=O)N1O.
What is the InChIKey of 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide?
The InChIKey is SBULMKLVWHBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C3H5NO/c6-3-1-2-4(7)5(3)8;1-2-3(4)5/h8H,1-2H2;2H,1H2,(H2,4,5).
What are the key properties of 1-hydroxypyrrolidine-2,5-dione;prop-2-enamide?
1-hydroxypyrrolidine-2,5-dione;prop-2-enamide has a molecular weight of 186.17 g/mol, XLogP of -0.82, 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-enamide is sourced from PubChem (CID 67303287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).