1-cyclopropylaziridine-2,3-dione

C5H5NO2 — CID 154037475

IUPAC1-cyclopropylaziridine-2,3-dione
SMILESO=c1c(=O)n1C1CC1
InChIInChI=1S/C5H5NO2/c7-4-5(8)6(4)3-1-2-3/h3H,1-2H2
InChIKeyWECBJQMZLDNBRE-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.58
Rot. Bonds1

About 1-cyclopropylaziridine-2,3-dione

1-cyclopropylaziridine-2,3-dione (PubChem CID 154037475) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 1-cyclopropylaziridine-2,3-dione.

Molecular Properties

Compound Name1-cyclopropylaziridine-2,3-dione
PubChem CID154037475
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name1-cyclopropylaziridine-2,3-dione
SMILESO=c1c(=O)n1C1CC1
InChIInChI=1S/C5H5NO2/c7-4-5(8)6(4)3-1-2-3/h3H,1-2H2
InChIKeyWECBJQMZLDNBRE-UHFFFAOYSA-N
XLogP-0.58
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,11-dicyclopropyl-2,8-dithia-5,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 67136304
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylaziridine-2,3-dione?
The IUPAC name of 1-cyclopropylaziridine-2,3-dione (CID 154037475) is 1-cyclopropylaziridine-2,3-dione.
What is the SMILES notation for 1-cyclopropylaziridine-2,3-dione?
The canonical SMILES for 1-cyclopropylaziridine-2,3-dione is O=c1c(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropylaziridine-2,3-dione?
The InChIKey is WECBJQMZLDNBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-4-5(8)6(4)3-1-2-3/h3H,1-2H2.
What are the key properties of 1-cyclopropylaziridine-2,3-dione?
1-cyclopropylaziridine-2,3-dione has a molecular weight of 111.10 g/mol, XLogP of -0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylaziridine-2,3-dione is sourced from PubChem (CID 154037475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).