3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one

C11H11NO2 — CID 84771045

IUPAC3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
SMILESO=C1C2CC(CN1c1ccccc1)O2
InChIInChI=1S/C11H11NO2/c13-11-10-6-9(14-10)7-12(11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeySOIMGEJGFQGJNF-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.19
Rot. Bonds1

About 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one

3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one (PubChem CID 84771045) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one.

Molecular Properties

Compound Name3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
PubChem CID84771045
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
SMILESO=C1C2CC(CN1c1ccccc1)O2
InChIInChI=1S/C11H11NO2/c13-11-10-6-9(14-10)7-12(11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
InChIKeySOIMGEJGFQGJNF-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808181
3-(3-aminophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84777806
3-(3-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808182
3-(2-oxo-6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)benzoic acid
CID 84795873
3-(2-methoxyphenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84786579
(1S,5R,7R)-4-oxo-3-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 71747890
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 84766951
3,5-diphenyl-1,3-oxazolidin-2-one
CID 568810
(5R)-5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11310370
(3R,4S)-3-chloro-4-methyl-1-phenylpyrrolidin-2-one
CID 14417049
3-[[2-(aminomethyl)phenyl]methyl]-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84795407
3-[(2-bromophenyl)methyl]-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84812247

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one?
The IUPAC name of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one (CID 84771045) is 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one.
What is the SMILES notation for 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one?
The canonical SMILES for 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one is O=C1C2CC(CN1c1ccccc1)O2.
What is the InChIKey of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one?
The InChIKey is SOIMGEJGFQGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-11-10-6-9(14-10)7-12(11)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2.
What are the key properties of 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one?
3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-oxa-3-azabicyclo[3.1.1]heptan-2-one is sourced from PubChem (CID 84771045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).