(2R,3R)-2-(4-nitrophenyl)-3-propyloxirane

C11H13NO3 — CID 3081166

IUPAC(2R,3R)-2-(4-nitrophenyl)-3-propyloxirane
SMILESCCC[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO3/c1-2-3-10-11(15-10)8-4-6-9(7-5-8)12(13)14/h4-7,10-11H,2-3H2,1H3/t10-,11-/m1/s1
InChIKeyJMIOGKAUHLHRKF-GHMZBOCLSA-N
MW207.23 g/mol
LogP2.83
Rot. Bonds4

About (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane

(2R,3R)-2-(4-nitrophenyl)-3-propyloxirane (PubChem CID 3081166) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-(4-nitrophenyl)-3-propyloxirane
PubChem CID3081166
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R,3R)-2-(4-nitrophenyl)-3-propyloxirane
SMILESCCC[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H13NO3/c1-2-3-10-11(15-10)8-4-6-9(7-5-8)12(13)14/h4-7,10-11H,2-3H2,1H3/t10-,11-/m1/s1
InChIKeyJMIOGKAUHLHRKF-GHMZBOCLSA-N
XLogP2.83
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.83
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,3R)-2-(4-nitrophenyl)-3-propyloxirane?
The IUPAC name of (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane (CID 3081166) is (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane.
What is the SMILES notation for (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane?
The canonical SMILES for (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane is CCC[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane?
The InChIKey is JMIOGKAUHLHRKF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-3-10-11(15-10)8-4-6-9(7-5-8)12(13)14/h4-7,10-11H,2-3H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane?
(2R,3R)-2-(4-nitrophenyl)-3-propyloxirane has a molecular weight of 207.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-nitrophenyl)-3-propyloxirane is sourced from PubChem (CID 3081166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).