5-methoxy-2-azabicyclo[2.2.0]hexan-3-one

C6H9NO2 — CID 13437990

IUPAC5-methoxy-2-azabicyclo[2.2.0]hexan-3-one
SMILESCOC1CC2NC(=O)C21
InChIInChI=1S/C6H9NO2/c1-9-4-2-3-5(4)6(8)7-3/h3-5H,2H2,1H3,(H,7,8)
InChIKeyVZDBAHIONFGMAR-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.48
Rot. Bonds1

About 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one

5-methoxy-2-azabicyclo[2.2.0]hexan-3-one (PubChem CID 13437990) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one.

Molecular Properties

Compound Name5-methoxy-2-azabicyclo[2.2.0]hexan-3-one
PubChem CID13437990
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-methoxy-2-azabicyclo[2.2.0]hexan-3-one
SMILESCOC1CC2NC(=O)C21
InChIInChI=1S/C6H9NO2/c1-9-4-2-3-5(4)6(8)7-3/h3-5H,2H2,1H3,(H,7,8)
InChIKeyVZDBAHIONFGMAR-UHFFFAOYSA-N
XLogP-0.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R,4S,6S)-6-methoxybicyclo[2.2.2]octan-2-one
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2,6-dimethoxy-9-azabicyclo[3.3.1]nonane;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one?
The IUPAC name of 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one (CID 13437990) is 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one.
What is the SMILES notation for 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one?
The canonical SMILES for 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one is COC1CC2NC(=O)C21.
What is the InChIKey of 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one?
The InChIKey is VZDBAHIONFGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-9-4-2-3-5(4)6(8)7-3/h3-5H,2H2,1H3,(H,7,8).
What are the key properties of 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one?
5-methoxy-2-azabicyclo[2.2.0]hexan-3-one has a molecular weight of 127.14 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-azabicyclo[2.2.0]hexan-3-one is sourced from PubChem (CID 13437990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).