1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

C13H15NO — CID 603834

IUPAC1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESCC1(C)C2C(c3ccccc3)=NOC21C
InChIInChI=1S/C13H15NO/c1-12(2)11-10(14-15-13(11,12)3)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyBJWVERWKUTXTGC-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.84
Rot. Bonds1

About 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene

1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (PubChem CID 603834) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.

Molecular Properties

Compound Name1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
PubChem CID603834
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene
SMILESCC1(C)C2C(c3ccccc3)=NOC21C
InChIInChI=1S/C13H15NO/c1-12(2)11-10(14-15-13(11,12)3)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyBJWVERWKUTXTGC-UHFFFAOYSA-N
XLogP2.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-5-methylisoxazoline
CID 12228204
5-Isopropyl-3-phenyl-4,5-dihydroisoxazole
CID 86056955
5,5-dimethyl-3-phenyl-4H-1,2-oxazole
CID 101843022
5-(Fluoromethyl)-4-methyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 154713777
5-Fluoro-5-methyl-3-phenyl-4,6-dihydrooxazine
CID 177855892
7-Phenyl-5-oxa-6-azaspiro[3.4]oct-6-ene
CID 12483694
6-Methyl-7-phenyl-4-oxa-5-azaspiro[2.4]hept-5-ene
CID 13896365
5-Cyclohexyl-3-phenyl-4,5-dihydroisoxazole
CID 14922417
4H-1,2-Oxazine, 5,6-dihydro-5,6,6-trimethyl-3-phenyl-
CID 91714321
6,6-Dimethyl-3-phenyl-5,6-dihydro-4H-1,2-oxazine
CID 91730354
Isoxazole, 5-butyl-4,5-dihydro-3-phenyl-
CID 11138176
4-Benzyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12959092

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The IUPAC name of 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene (CID 603834) is 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene.
What is the SMILES notation for 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The canonical SMILES for 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is CC1(C)C2C(c3ccccc3)=NOC21C.
What is the InChIKey of 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
The InChIKey is BJWVERWKUTXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-12(2)11-10(14-15-13(11,12)3)9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene?
1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene has a molecular weight of 201.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-4-phenyl-2-oxa-3-azabicyclo[3.1.0]hex-3-ene is sourced from PubChem (CID 603834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).