1-(1-nitroethyl)azetidin-3-ol

C₅H₁₀N₂O₃ — CID 141210925

About 1-(1-nitroethyl)azetidin-3-ol

1-(1-nitroethyl)azetidin-3-ol (PubChem CID 141210925) has the molecular formula C₅H₁₀N₂O₃ and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-(1-nitroethyl)azetidin-3-ol.

Molecular Properties

• Compound Name: 1-(1-nitroethyl)azetidin-3-ol
• PubChem CID: 141210925
• Molecular Formula: C₅H₁₀N₂O₃
• Molecular Weight: 146.15 g/mol
• Exact Mass: 146.07
• IUPAC Name: 1-(1-nitroethyl)azetidin-3-ol
• SMILES: CC(N1CC(O)C1)[N+](=O)[O-]
• InChI: InChI=1S/C5H10N2O3/c1-4(7(9)10)6-2-5(8)3-6/h4-5,8H,2-3H2,1H3
• InChIKey: ZREHZBMBTYVOGI-UHFFFAOYSA-N
• XLogP: -0.71
• TPSA: 66.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	146.15
LogP ≤ 5	-0.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-nitroethyl)azetidin-3-ol?

The IUPAC name of 1-(1-nitroethyl)azetidin-3-ol (CID 141210925) is 1-(1-nitroethyl)azetidin-3-ol.

What is the SMILES notation for 1-(1-nitroethyl)azetidin-3-ol?

The canonical SMILES for 1-(1-nitroethyl)azetidin-3-ol is CC(N1CC(O)C1)[N+](=O)[O-].

What is the InChIKey of 1-(1-nitroethyl)azetidin-3-ol?

The InChIKey is ZREHZBMBTYVOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(7(9)10)6-2-5(8)3-6/h4-5,8H,2-3H2,1H3.

What are the key properties of 1-(1-nitroethyl)azetidin-3-ol?

1-(1-nitroethyl)azetidin-3-ol has a molecular weight of 146.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-nitroethyl)azetidin-3-ol is sourced from PubChem (CID 141210925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141210925 — identifiers, structure, computed properties (public domain)

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