1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

C11H11NO2 — CID 15687539

IUPAC1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESNC12C(=O)OCC1C2c1ccccc1
InChIInChI=1S/C11H11NO2/c12-11-8(6-14-10(11)13)9(11)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2
InChIKeyRXLGRLDOSQCENY-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.65
Rot. Bonds1

About 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 15687539) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID15687539
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESNC12C(=O)OCC1C2c1ccccc1
InChIInChI=1S/C11H11NO2/c12-11-8(6-14-10(11)13)9(11)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2
InChIKeyRXLGRLDOSQCENY-UHFFFAOYSA-N
XLogP0.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one (CID 15687539) is 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one is NC12C(=O)OCC1C2c1ccccc1.
What is the InChIKey of 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is RXLGRLDOSQCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c12-11-8(6-14-10(11)13)9(11)7-4-2-1-3-5-7/h1-5,8-9H,6,12H2.
What are the key properties of 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 189.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 15687539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).