(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane

C10H9NO3 — CID 15358071

IUPAC(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane
SMILESC=C[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9NO3/c1-2-9-10(14-9)7-3-5-8(6-4-7)11(12)13/h2-6,9-10H,1H2/t9-,10+/m1/s1
InChIKeyMKMGBGSRUSMMMW-ZJUUUORDSA-N
MW191.19 g/mol
LogP2.22
Rot. Bonds3

About (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane

(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane (PubChem CID 15358071) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane.

Molecular Properties

Compound Name(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane
PubChem CID15358071
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane
SMILESC=C[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9NO3/c1-2-9-10(14-9)7-3-5-8(6-4-7)11(12)13/h2-6,9-10H,1H2/t9-,10+/m1/s1
InChIKeyMKMGBGSRUSMMMW-ZJUUUORDSA-N
XLogP2.22
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane?
The IUPAC name of (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane (CID 15358071) is (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane.
What is the SMILES notation for (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane?
The canonical SMILES for (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane is C=C[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane?
The InChIKey is MKMGBGSRUSMMMW-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H9NO3/c1-2-9-10(14-9)7-3-5-8(6-4-7)11(12)13/h2-6,9-10H,1H2/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane?
(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane has a molecular weight of 191.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane is sourced from PubChem (CID 15358071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).