1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione

C9H11N3O3 — CID 23461640

IUPAC1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione
SMILESCC(=O)N1CC1C#N.O=C1CCC(=O)N1
InChIInChI=1S/C5H6N2O.C4H5NO2/c1-4(8)7-3-5(7)2-6;6-3-1-2-4(7)5-3/h5H,3H2,1H3;1-2H2,(H,5,6,7)
InChIKeyDWDLKRFICDTXRL-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.84
Rot. Bonds

About 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione

1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione (PubChem CID 23461640) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione
PubChem CID23461640
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione
SMILESCC(=O)N1CC1C#N.O=C1CCC(=O)N1
InChIInChI=1S/C5H6N2O.C4H5NO2/c1-4(8)7-3-5(7)2-6;6-3-1-2-4(7)5-3/h5H,3H2,1H3;1-2H2,(H,5,6,7)
InChIKeyDWDLKRFICDTXRL-UHFFFAOYSA-N
XLogP-0.84
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-acetyl-2-cyanoaziridine-1-carboxamide;pyrrolidine-2,5-dione
CID 21162048
N-[4-(2-cyanoaziridin-1-yl)-4-oxobutyl]acetamide
CID 23461430
4-(2-Cyanoaziridin-1-yl)-4-oxobutanamide
CID 23461500
3-Ethylaziridin-2-one;pyrrolidin-2-one
CID 161733741
4-(2,5-dioxopyrrolidin-1-yl)-N-propan-2-ylbutanamide
CID 17035014
2-(Cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)-2-methylpropanenitrile
CID 61897960
3-(2,5-Dioxopyrrolidin-1-yl)-2-(methylamino)propanenitrile
CID 61907983
3-(2,5-Dioxopyrrolidin-1-yl)-2-(ethylamino)propanenitrile
CID 61908188
3-(2,5-Dioxopyrrolidin-1-yl)-2-(propylamino)propanenitrile
CID 61908189
3-(2,5-Dioxopyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 61908190
2-(Cyclopropylamino)-3-(2,5-dioxopyrrolidin-1-yl)propanenitrile
CID 61908191
4-(2,5-Dioxopyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 63028768

Frequently Asked Questions

What is the IUPAC name of 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione?
The IUPAC name of 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione (CID 23461640) is 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione.
What is the SMILES notation for 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione?
The canonical SMILES for 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione is CC(=O)N1CC1C#N.O=C1CCC(=O)N1.
What is the InChIKey of 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione?
The InChIKey is DWDLKRFICDTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C4H5NO2/c1-4(8)7-3-5(7)2-6;6-3-1-2-4(7)5-3/h5H,3H2,1H3;1-2H2,(H,5,6,7).
What are the key properties of 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione?
1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione has a molecular weight of 209.20 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylaziridine-2-carbonitrile;pyrrolidine-2,5-dione is sourced from PubChem (CID 23461640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).