(2S)-2-[(E)-2-nitroethenyl]oxolane

C6H9NO3 — CID 124585776

IUPAC(2S)-2-[(E)-2-nitroethenyl]oxolane
SMILESO=[N+]([O-])/C=C/[C@@H]1CCCO1
InChIInChI=1S/C6H9NO3/c8-7(9)4-3-6-2-1-5-10-6/h3-4,6H,1-2,5H2/b4-3+/t6-/m0/s1
InChIKeyALEDMODJLLWDRK-YUDCMIJISA-N
MW143.14 g/mol
LogP0.96
Rot. Bonds2

About (2S)-2-[(E)-2-nitroethenyl]oxolane

(2S)-2-[(E)-2-nitroethenyl]oxolane (PubChem CID 124585776) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-2-[(E)-2-nitroethenyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[(E)-2-nitroethenyl]oxolane
PubChem CID124585776
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-2-[(E)-2-nitroethenyl]oxolane
SMILESO=[N+]([O-])/C=C/[C@@H]1CCCO1
InChIInChI=1S/C6H9NO3/c8-7(9)4-3-6-2-1-5-10-6/h3-4,6H,1-2,5H2/b4-3+/t6-/m0/s1
InChIKeyALEDMODJLLWDRK-YUDCMIJISA-N
XLogP0.96
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.96
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E)-2-nitroethenyl]oxolane?
The IUPAC name of (2S)-2-[(E)-2-nitroethenyl]oxolane (CID 124585776) is (2S)-2-[(E)-2-nitroethenyl]oxolane.
What is the SMILES notation for (2S)-2-[(E)-2-nitroethenyl]oxolane?
The canonical SMILES for (2S)-2-[(E)-2-nitroethenyl]oxolane is O=[N+]([O-])/C=C/[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(E)-2-nitroethenyl]oxolane?
The InChIKey is ALEDMODJLLWDRK-YUDCMIJISA-N. The full InChI is InChI=1S/C6H9NO3/c8-7(9)4-3-6-2-1-5-10-6/h3-4,6H,1-2,5H2/b4-3+/t6-/m0/s1.
What are the key properties of (2S)-2-[(E)-2-nitroethenyl]oxolane?
(2S)-2-[(E)-2-nitroethenyl]oxolane has a molecular weight of 143.14 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E)-2-nitroethenyl]oxolane is sourced from PubChem (CID 124585776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).