Nitrous oxide

N₂O — CID 948

About Nitrous oxide

Nitrous oxide (PubChem CID 948) has the molecular formula N₂O and a molecular weight of 44.01 g/mol. Its IUPAC name is nitrous oxide.

Molecular Properties

• Compound Name: Nitrous oxide
• PubChem CID: 948
• Molecular Formula: N₂O
• Molecular Weight: 44.01 g/mol
• Exact Mass: 44.00
• IUPAC Name: nitrous oxide
• SMILES: [N-]=[N+]=O
• InChI: InChI=1S/N2O/c1-2-3
• InChIKey: GQPLMRYTRLFLPF-UHFFFAOYSA-N
• XLogP: -0.16
• TPSA: 53.47 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 3
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	44.01
LogP ≤ 5	-0.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}

Frequently Asked Questions

What is the IUPAC name of Nitrous oxide?

The IUPAC name of Nitrous oxide (CID 948) is nitrous oxide.

What is the SMILES notation for Nitrous oxide?

The canonical SMILES for Nitrous oxide is [N-]=[N+]=O.

What is the InChIKey of Nitrous oxide?

The InChIKey is GQPLMRYTRLFLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/N2O/c1-2-3.

What are the key properties of Nitrous oxide?

Nitrous oxide has a molecular weight of 44.01 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Nitrous oxide is sourced from PubChem (CID 948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 948 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4238 — approved-drug record (CC BY-SA 4.0)

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