4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one

C7H9NO2 — CID 557443

IUPAC4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESCOC12C=CC1N(C)C2=O
InChIInChI=1S/C7H9NO2/c1-8-5-3-4-7(5,10-2)6(8)9/h3-5H,1-2H3
InChIKeyINLXZPPDBXUKMF-UHFFFAOYSA-N
MW139.15 g/mol
LogP-0.22
Rot. Bonds1

About 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one

4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one (PubChem CID 557443) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
PubChem CID557443
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one
SMILESCOC12C=CC1N(C)C2=O
InChIInChI=1S/C7H9NO2/c1-8-5-3-4-7(5,10-2)6(8)9/h3-5H,1-2H3
InChIKeyINLXZPPDBXUKMF-UHFFFAOYSA-N
XLogP-0.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
The IUPAC name of 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one (CID 557443) is 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one.
What is the SMILES notation for 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
The canonical SMILES for 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one is COC12C=CC1N(C)C2=O.
What is the InChIKey of 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
The InChIKey is INLXZPPDBXUKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-8-5-3-4-7(5,10-2)6(8)9/h3-5H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one?
4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one has a molecular weight of 139.15 g/mol, XLogP of -0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-azabicyclo[2.2.0]hex-5-en-3-one is sourced from PubChem (CID 557443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).