(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

C7H10N2O2S — CID 140527520

IUPAC(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESCO/N=S1\CC=CN2C(=O)CC21
InChIInChI=1S/C7H10N2O2S/c1-11-8-12-4-2-3-9-6(10)5-7(9)12/h2-3,7H,4-5H2,1H3
InChIKeyALOHNYAZHRLCHA-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.44
Rot. Bonds1

About (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one

(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one (PubChem CID 140527520) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one.

Molecular Properties

Compound Name(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
PubChem CID140527520
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
SMILESCO/N=S1\CC=CN2C(=O)CC21
InChIInChI=1S/C7H10N2O2S/c1-11-8-12-4-2-3-9-6(10)5-7(9)12/h2-3,7H,4-5H2,1H3
InChIKeyALOHNYAZHRLCHA-UHFFFAOYSA-N
XLogP0.44
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The IUPAC name of (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one (CID 140527520) is (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one.
What is the SMILES notation for (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The canonical SMILES for (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one is CO/N=S1\CC=CN2C(=O)CC21.
What is the InChIKey of (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
The InChIKey is ALOHNYAZHRLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-11-8-12-4-2-3-9-6(10)5-7(9)12/h2-3,7H,4-5H2,1H3.
What are the key properties of (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one?
(5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one has a molecular weight of 186.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methoxyimino-5λ4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one is sourced from PubChem (CID 140527520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).