N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione

C10H12N4O4 — CID 21162048

IUPACN-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione
SMILESCC(=O)NC(=O)N1CC1C#N.O=C1CCC(=O)N1
InChIInChI=1S/C6H7N3O2.C4H5NO2/c1-4(10)8-6(11)9-3-5(9)2-7;6-3-1-2-4(7)5-3/h5H,3H2,1H3,(H,8,10,11);1-2H2,(H,5,6,7)
InChIKeyWCWMWPASDXLGOO-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.13
Rot. Bonds

About N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione

N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione (PubChem CID 21162048) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione.

Molecular Properties

Compound NameN-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione
PubChem CID21162048
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC NameN-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione
SMILESCC(=O)NC(=O)N1CC1C#N.O=C1CCC(=O)N1
InChIInChI=1S/C6H7N3O2.C4H5NO2/c1-4(10)8-6(11)9-3-5(9)2-7;6-3-1-2-4(7)5-3/h5H,3H2,1H3,(H,8,10,11);1-2H2,(H,5,6,7)
InChIKeyWCWMWPASDXLGOO-UHFFFAOYSA-N
XLogP-1.13
TPSA119.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione?
The IUPAC name of N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione (CID 21162048) is N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione.
What is the SMILES notation for N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione?
The canonical SMILES for N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione is CC(=O)NC(=O)N1CC1C#N.O=C1CCC(=O)N1.
What is the InChIKey of N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione?
The InChIKey is WCWMWPASDXLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.C4H5NO2/c1-4(10)8-6(11)9-3-5(9)2-7;6-3-1-2-4(7)5-3/h5H,3H2,1H3,(H,8,10,11);1-2H2,(H,5,6,7).
What are the key properties of N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione?
N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione has a molecular weight of 252.23 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione is sourced from PubChem (CID 21162048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).