3-(5-ethenyl-2-nitrophenoxy)oxolane

C12H13NO4 — CID 171384903

IUPAC3-(5-ethenyl-2-nitrophenoxy)oxolane
SMILESC=Cc1ccc([N+](=O)[O-])c(OC2CCOC2)c1
InChIInChI=1S/C12H13NO4/c1-2-9-3-4-11(13(14)15)12(7-9)17-10-5-6-16-8-10/h2-4,7,10H,1,5-6,8H2
InChIKeyYVQFCEWUFZDZLU-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.41
Rot. Bonds4

About 3-(5-ethenyl-2-nitrophenoxy)oxolane

3-(5-ethenyl-2-nitrophenoxy)oxolane (PubChem CID 171384903) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(5-ethenyl-2-nitrophenoxy)oxolane.

Molecular Properties

Compound Name3-(5-ethenyl-2-nitrophenoxy)oxolane
PubChem CID171384903
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-(5-ethenyl-2-nitrophenoxy)oxolane
SMILESC=Cc1ccc([N+](=O)[O-])c(OC2CCOC2)c1
InChIInChI=1S/C12H13NO4/c1-2-9-3-4-11(13(14)15)12(7-9)17-10-5-6-16-8-10/h2-4,7,10H,1,5-6,8H2
InChIKeyYVQFCEWUFZDZLU-UHFFFAOYSA-N
XLogP2.41
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethenyl-2-nitrophenoxy)oxolane?
The IUPAC name of 3-(5-ethenyl-2-nitrophenoxy)oxolane (CID 171384903) is 3-(5-ethenyl-2-nitrophenoxy)oxolane.
What is the SMILES notation for 3-(5-ethenyl-2-nitrophenoxy)oxolane?
The canonical SMILES for 3-(5-ethenyl-2-nitrophenoxy)oxolane is C=Cc1ccc([N+](=O)[O-])c(OC2CCOC2)c1.
What is the InChIKey of 3-(5-ethenyl-2-nitrophenoxy)oxolane?
The InChIKey is YVQFCEWUFZDZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-2-9-3-4-11(13(14)15)12(7-9)17-10-5-6-16-8-10/h2-4,7,10H,1,5-6,8H2.
What are the key properties of 3-(5-ethenyl-2-nitrophenoxy)oxolane?
3-(5-ethenyl-2-nitrophenoxy)oxolane has a molecular weight of 235.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethenyl-2-nitrophenoxy)oxolane is sourced from PubChem (CID 171384903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).