7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one

C12H13NO2 — CID 15761342

IUPAC7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
SMILESCc1cccc(N2C(=O)C3CCOC32)c1
InChIInChI=1S/C12H13NO2/c1-8-3-2-4-9(7-8)13-11(14)10-5-6-15-12(10)13/h2-4,7,10,12H,5-6H2,1H3
InChIKeyYSHAWKONCVMWMB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.70
Rot. Bonds1

About 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one

7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one (PubChem CID 15761342) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
PubChem CID15761342
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
SMILESCc1cccc(N2C(=O)C3CCOC32)c1
InChIInChI=1S/C12H13NO2/c1-8-3-2-4-9(7-8)13-11(14)10-5-6-15-12(10)13/h2-4,7,10,12H,5-6H2,1H3
InChIKeyYSHAWKONCVMWMB-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105470065
3-(3-methylphenyl)-2-oxo-1,3-oxazinane-4-carbonitrile
CID 117010650
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 82506704
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713
ethane;methane;1-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 171522896
3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 13005196
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
CID 90931230
(3aR,4R,7S,7aS)-2-(3-methylphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11890781
(3aR,5R,7aS)-5-methyl-2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7297999
(3aR,5R,7aR)-5-methyl-2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7297998
4-methyl-2-(3-methylphenyl)-1,2,4-oxadiazinane-3,5-dione
CID 154184841
3-methyl-1-(3-methylphenyl)piperidin-2-one
CID 21249686

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
The IUPAC name of 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one (CID 15761342) is 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one is Cc1cccc(N2C(=O)C3CCOC32)c1.
What is the InChIKey of 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
The InChIKey is YSHAWKONCVMWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-3-2-4-9(7-8)13-11(14)10-5-6-15-12(10)13/h2-4,7,10,12H,5-6H2,1H3.
What are the key properties of 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one?
7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one has a molecular weight of 203.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 15761342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).