5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one

C12H13NO2 — CID 84777238

IUPAC5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
SMILESCc1ccccc1N1C(=O)C2CC1CO2
InChIInChI=1S/C12H13NO2/c1-8-4-2-3-5-10(8)13-9-6-11(12(13)14)15-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyDLRUFJINAVNWSR-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.50
Rot. Bonds1

About 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one

5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one (PubChem CID 84777238) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
PubChem CID84777238
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
SMILESCc1ccccc1N1C(=O)C2CC1CO2
InChIInChI=1S/C12H13NO2/c1-8-4-2-3-5-10(8)13-9-6-11(12(13)14)15-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyDLRUFJINAVNWSR-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one?
The IUPAC name of 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one (CID 84777238) is 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one.
What is the SMILES notation for 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one?
The canonical SMILES for 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one is Cc1ccccc1N1C(=O)C2CC1CO2.
What is the InChIKey of 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one?
The InChIKey is DLRUFJINAVNWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-4-2-3-5-10(8)13-9-6-11(12(13)14)15-7-9/h2-5,9,11H,6-7H2,1H3.
What are the key properties of 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one?
5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one has a molecular weight of 203.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-one is sourced from PubChem (CID 84777238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).