prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)

C7H7NO3U — CID 155725241

IUPACprop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)
SMILESC=C[C-]=O.O=C1CCC(=O)[N-]1.[U+2]
InChIInChI=1S/C4H5NO2.C3H3O.U/c6-3-1-2-4(7)5-3;1-2-3-4;/h1-2H2,(H,5,6,7);2H,1H2;/q;-1;+2/p-1
InChIKeyAPVHDCXAOOXMGQ-UHFFFAOYSA-M
MW391.17 g/mol
LogP0.49
Rot. Bonds1

About prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)

prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+) (PubChem CID 155725241) has the molecular formula C7H7NO3U and a molecular weight of 391.17 g/mol. Its IUPAC name is prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+).

Molecular Properties

Compound Nameprop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)
PubChem CID155725241
Molecular FormulaC7H7NO3U
Molecular Weight391.17 g/mol
Exact Mass391.09
IUPAC Nameprop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)
SMILESC=C[C-]=O.O=C1CCC(=O)[N-]1.[U+2]
InChIInChI=1S/C4H5NO2.C3H3O.U/c6-3-1-2-4(7)5-3;1-2-3-4;/h1-2H2,(H,5,6,7);2H,1H2;/q;-1;+2/p-1
InChIKeyAPVHDCXAOOXMGQ-UHFFFAOYSA-M
XLogP0.49
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)?
The IUPAC name of prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+) (CID 155725241) is prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+).
What is the SMILES notation for prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)?
The canonical SMILES for prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+) is C=C[C-]=O.O=C1CCC(=O)[N-]1.[U+2].
What is the InChIKey of prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)?
The InChIKey is APVHDCXAOOXMGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5NO2.C3H3O.U/c6-3-1-2-4(7)5-3;1-2-3-4;/h1-2H2,(H,5,6,7);2H,1H2;/q;-1;+2/p-1.
What are the key properties of prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+)?
prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+) has a molecular weight of 391.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-one;pyrrolidin-1-ide-2,5-dione;uranium(2+) is sourced from PubChem (CID 155725241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).