1-hydroxy-2-nitro-2-phenylaziridine

C8H8N2O3 — CID 141118213

IUPAC1-hydroxy-2-nitro-2-phenylaziridine
SMILESO=[N+]([O-])C1(c2ccccc2)CN1O
InChIInChI=1S/C8H8N2O3/c11-9-6-8(9,10(12)13)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyIWMRLFGWSRQEAD-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.82
Rot. Bonds2

About 1-hydroxy-2-nitro-2-phenylaziridine

1-hydroxy-2-nitro-2-phenylaziridine (PubChem CID 141118213) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 1-hydroxy-2-nitro-2-phenylaziridine.

Molecular Properties

Compound Name1-hydroxy-2-nitro-2-phenylaziridine
PubChem CID141118213
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name1-hydroxy-2-nitro-2-phenylaziridine
SMILESO=[N+]([O-])C1(c2ccccc2)CN1O
InChIInChI=1S/C8H8N2O3/c11-9-6-8(9,10(12)13)7-4-2-1-3-5-7/h1-5,11H,6H2
InChIKeyIWMRLFGWSRQEAD-UHFFFAOYSA-N
XLogP0.82
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-nitro-2-phenylaziridine?
The IUPAC name of 1-hydroxy-2-nitro-2-phenylaziridine (CID 141118213) is 1-hydroxy-2-nitro-2-phenylaziridine.
What is the SMILES notation for 1-hydroxy-2-nitro-2-phenylaziridine?
The canonical SMILES for 1-hydroxy-2-nitro-2-phenylaziridine is O=[N+]([O-])C1(c2ccccc2)CN1O.
What is the InChIKey of 1-hydroxy-2-nitro-2-phenylaziridine?
The InChIKey is IWMRLFGWSRQEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-9-6-8(9,10(12)13)7-4-2-1-3-5-7/h1-5,11H,6H2.
What are the key properties of 1-hydroxy-2-nitro-2-phenylaziridine?
1-hydroxy-2-nitro-2-phenylaziridine has a molecular weight of 180.16 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-nitro-2-phenylaziridine is sourced from PubChem (CID 141118213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).