nitrous oxide;oxirane

C2H4N2O2 — CID 162256916

IUPACnitrous oxide;oxirane
SMILESC1CO1.[N-]=[N+]=O
InChIInChI=1S/C2H4O.N2O/c1-2-3-1;1-2-3/h1-2H2;
InChIKeyZYSGGUREBPVVCD-UHFFFAOYSA-N
MW88.07 g/mol
LogP-0.14
Rot. Bonds

About nitrous oxide;oxirane

nitrous oxide;oxirane (PubChem CID 162256916) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is nitrous oxide;oxirane.

Molecular Properties

Compound Namenitrous oxide;oxirane
PubChem CID162256916
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC Namenitrous oxide;oxirane
SMILESC1CO1.[N-]=[N+]=O
InChIInChI=1S/C2H4O.N2O/c1-2-3-1;1-2-3/h1-2H2;
InChIKeyZYSGGUREBPVVCD-UHFFFAOYSA-N
XLogP-0.14
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitrous oxide;oxirane?
The IUPAC name of nitrous oxide;oxirane (CID 162256916) is nitrous oxide;oxirane.
What is the SMILES notation for nitrous oxide;oxirane?
The canonical SMILES for nitrous oxide;oxirane is C1CO1.[N-]=[N+]=O.
What is the InChIKey of nitrous oxide;oxirane?
The InChIKey is ZYSGGUREBPVVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.N2O/c1-2-3-1;1-2-3/h1-2H2;.
What are the key properties of nitrous oxide;oxirane?
nitrous oxide;oxirane has a molecular weight of 88.07 g/mol, XLogP of -0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous oxide;oxirane is sourced from PubChem (CID 162256916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).