aziridin-2-one;formaldehyde

C3H5NO2 — CID 19936529

IUPACaziridin-2-one;formaldehyde
SMILESC=O.O=C1CN1
InChIInChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2
InChIKeyROUNCOYCJZQHPJ-UHFFFAOYSA-N
MW87.08 g/mol
LogP-1.07
Rot. Bonds

About aziridin-2-one;formaldehyde

aziridin-2-one;formaldehyde (PubChem CID 19936529) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is aziridin-2-one;formaldehyde.

Molecular Properties

Compound Nameaziridin-2-one;formaldehyde
PubChem CID19936529
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Nameaziridin-2-one;formaldehyde
SMILESC=O.O=C1CN1
InChIInChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2
InChIKeyROUNCOYCJZQHPJ-UHFFFAOYSA-N
XLogP-1.07
TPSA56.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aziridin-2-one;formaldehyde?
The IUPAC name of aziridin-2-one;formaldehyde (CID 19936529) is aziridin-2-one;formaldehyde.
What is the SMILES notation for aziridin-2-one;formaldehyde?
The canonical SMILES for aziridin-2-one;formaldehyde is C=O.O=C1CN1.
What is the InChIKey of aziridin-2-one;formaldehyde?
The InChIKey is ROUNCOYCJZQHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO.CH2O/c4-2-1-3-2;1-2/h1H2,(H,3,4);1H2.
What are the key properties of aziridin-2-one;formaldehyde?
aziridin-2-one;formaldehyde has a molecular weight of 87.08 g/mol, XLogP of -1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-2-one;formaldehyde is sourced from PubChem (CID 19936529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).