5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one

C12H13NO2 — CID 84777218

IUPAC5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOc1ccccc1C12CNC(=O)C1C2
InChIInChI=1S/C12H13NO2/c1-15-10-5-3-2-4-8(10)12-6-9(12)11(14)13-7-12/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKeySJNDCBLRJUHYGZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.08
Rot. Bonds2

About 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one

5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 84777218) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID84777218
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESCOc1ccccc1C12CNC(=O)C1C2
InChIInChI=1S/C12H13NO2/c1-15-10-5-3-2-4-8(10)12-6-9(12)11(14)13-7-12/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKeySJNDCBLRJUHYGZ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 84777218) is 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one is COc1ccccc1C12CNC(=O)C1C2.
What is the InChIKey of 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is SJNDCBLRJUHYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-10-5-3-2-4-8(10)12-6-9(12)11(14)13-7-12/h2-5,9H,6-7H2,1H3,(H,13,14).
What are the key properties of 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 84777218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).