2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one

C7H9NO2 — CID 14787166

IUPAC2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESCOCN1C(=O)C2C=CC21
InChIInChI=1S/C7H9NO2/c1-10-4-8-6-3-2-5(6)7(8)9/h2-3,5-6H,4H2,1H3
InChIKeyJSOOFLMVNGQIEF-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.01
Rot. Bonds2

About 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one

2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one (PubChem CID 14787166) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one.

Molecular Properties

Compound Name2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
PubChem CID14787166
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESCOCN1C(=O)C2C=CC21
InChIInChI=1S/C7H9NO2/c1-10-4-8-6-3-2-5(6)7(8)9/h2-3,5-6H,4H2,1H3
InChIKeyJSOOFLMVNGQIEF-UHFFFAOYSA-N
XLogP-0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one?
The IUPAC name of 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one (CID 14787166) is 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one.
What is the SMILES notation for 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one?
The canonical SMILES for 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one is COCN1C(=O)C2C=CC21.
What is the InChIKey of 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one?
The InChIKey is JSOOFLMVNGQIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-10-4-8-6-3-2-5(6)7(8)9/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one?
2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one has a molecular weight of 139.15 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-azabicyclo[2.2.0]hex-5-en-3-one is sourced from PubChem (CID 14787166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).