aziridine;oxirane

C4H9NO — CID 131637743

IUPACaziridine;oxirane
SMILESC1CN1.C1CO1
InChIInChI=1S/C2H5N.C2H4O/c2*1-2-3-1/h3H,1-2H2;1-2H2
InChIKeyHVZMEJKDXFWCMF-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.39
Rot. Bonds

About aziridine;oxirane

aziridine;oxirane (PubChem CID 131637743) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is aziridine;oxirane.

Molecular Properties

Compound Nameaziridine;oxirane
PubChem CID131637743
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Nameaziridine;oxirane
SMILESC1CN1.C1CO1
InChIInChI=1S/C2H5N.C2H4O/c2*1-2-3-1/h3H,1-2H2;1-2H2
InChIKeyHVZMEJKDXFWCMF-UHFFFAOYSA-N
XLogP-0.39
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.39
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 aziridine;oxirane?
The IUPAC name of aziridine;oxirane (CID 131637743) is aziridine;oxirane.
What is the SMILES notation for aziridine;oxirane?
The canonical SMILES for aziridine;oxirane is C1CN1.C1CO1.
What is the InChIKey of aziridine;oxirane?
The InChIKey is HVZMEJKDXFWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N.C2H4O/c2*1-2-3-1/h3H,1-2H2;1-2H2.
What are the key properties of aziridine;oxirane?
aziridine;oxirane has a molecular weight of 87.12 g/mol, XLogP of -0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aziridine;oxirane is sourced from PubChem (CID 131637743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).