prop-2-enamide;pyrrolidine-2,5-dione

C7H10N2O3 — CID 141499533

IUPACprop-2-enamide;pyrrolidine-2,5-dione
SMILESC=CC(N)=O.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H5NO/c6-3-1-2-4(7)5-3;1-2-3(4)5/h1-2H2,(H,5,6,7);2H,1H2,(H2,4,5)
InChIKeyKRWRHQQOGIYTNX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.92
Rot. Bonds1

About prop-2-enamide;pyrrolidine-2,5-dione

prop-2-enamide;pyrrolidine-2,5-dione (PubChem CID 141499533) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is prop-2-enamide;pyrrolidine-2,5-dione.

Molecular Properties

Compound Nameprop-2-enamide;pyrrolidine-2,5-dione
PubChem CID141499533
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameprop-2-enamide;pyrrolidine-2,5-dione
SMILESC=CC(N)=O.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C3H5NO/c6-3-1-2-4(7)5-3;1-2-3(4)5/h1-2H2,(H,5,6,7);2H,1H2,(H2,4,5)
InChIKeyKRWRHQQOGIYTNX-UHFFFAOYSA-N
XLogP-0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Azane;ethene;pyrrolidine-2,5-dione
CID 20336216
Prop-2-enamide;pyrrolidin-2-one
CID 23358591
Azane;prop-1-ene;pyrrolidine-2,5-dione
CID 66872548
Pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 67242374
1-Hydroxypyrrolidine-2,5-dione;prop-2-enamide
CID 67303287
Azane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 69713789
Ethene;pyrrolidine-2,5-dione
CID 70039943
Prop-1-ene;pyrrolidine-2,5-dione
CID 90240369
N-(2,5-dioxopyrrolidin-1-yl)prop-2-enamide
CID 102374337
Ethene;prop-1-ene;pyrrolidine-2,5-dione
CID 157322302
Ethane;pyrrole-2,5-dione;pyrrolidine-2,5-dione
CID 159107221
3-Methylidenepyrrolidine-2,5-dione;prop-2-enamide
CID 159591311

Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;pyrrolidine-2,5-dione?
The IUPAC name of prop-2-enamide;pyrrolidine-2,5-dione (CID 141499533) is prop-2-enamide;pyrrolidine-2,5-dione.
What is the SMILES notation for prop-2-enamide;pyrrolidine-2,5-dione?
The canonical SMILES for prop-2-enamide;pyrrolidine-2,5-dione is C=CC(N)=O.O=C1CCC(=O)N1.
What is the InChIKey of prop-2-enamide;pyrrolidine-2,5-dione?
The InChIKey is KRWRHQQOGIYTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H5NO/c6-3-1-2-4(7)5-3;1-2-3(4)5/h1-2H2,(H,5,6,7);2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;pyrrolidine-2,5-dione?
prop-2-enamide;pyrrolidine-2,5-dione has a molecular weight of 170.17 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;pyrrolidine-2,5-dione is sourced from PubChem (CID 141499533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).