(2R)-2-(4-nitrophenyl)oxirane

C8H7NO3 — CID 1237170

IUPAC(2R)-2-(4-nitrophenyl)oxirane
SMILESO=[N+]([O-])c1ccc([C@@H]2CO2)cc1
InChIInChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
InChIKeyYKIUTLHCSNCTDZ-QMMMGPOBSA-N
MW165.15 g/mol
LogP1.67
Rot. Bonds2

About (2R)-2-(4-nitrophenyl)oxirane

(2R)-2-(4-nitrophenyl)oxirane (PubChem CID 1237170) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenyl)oxirane
PubChem CID1237170
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name(2R)-2-(4-nitrophenyl)oxirane
SMILESO=[N+]([O-])c1ccc([C@@H]2CO2)cc1
InChIInChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1
InChIKeyYKIUTLHCSNCTDZ-QMMMGPOBSA-N
XLogP1.67
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2R)-2-(4-nitrophenyl)oxirane?
The IUPAC name of (2R)-2-(4-nitrophenyl)oxirane (CID 1237170) is (2R)-2-(4-nitrophenyl)oxirane.
What is the SMILES notation for (2R)-2-(4-nitrophenyl)oxirane?
The canonical SMILES for (2R)-2-(4-nitrophenyl)oxirane is O=[N+]([O-])c1ccc([C@@H]2CO2)cc1.
What is the InChIKey of (2R)-2-(4-nitrophenyl)oxirane?
The InChIKey is YKIUTLHCSNCTDZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m0/s1.
What are the key properties of (2R)-2-(4-nitrophenyl)oxirane?
(2R)-2-(4-nitrophenyl)oxirane has a molecular weight of 165.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenyl)oxirane is sourced from PubChem (CID 1237170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).