5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one

C11H12N2O — CID 11636956

IUPAC5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC12CNC(=O)C1(c1ccccc1)C2
InChIInChI=1S/C11H12N2O/c12-10-6-11(10,9(14)13-7-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,14)
InChIKeyRFEMQGBWHFHMEC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.16
Rot. Bonds1

About 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one

5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 11636956) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID11636956
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC12CNC(=O)C1(c1ccccc1)C2
InChIInChI=1S/C11H12N2O/c12-10-6-11(10,9(14)13-7-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,14)
InChIKeyRFEMQGBWHFHMEC-UHFFFAOYSA-N
XLogP0.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one (CID 11636956) is 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one is NC12CNC(=O)C1(c1ccccc1)C2.
What is the InChIKey of 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is RFEMQGBWHFHMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-10-6-11(10,9(14)13-7-10)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,13,14).
What are the key properties of 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one?
5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 188.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 11636956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).