6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one

C11H12N2O2 — CID 115009746

IUPAC6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC1C2CN(c3cccc(O)c3)C(=O)C12
InChIInChI=1S/C11H12N2O2/c12-10-8-5-13(11(15)9(8)10)6-2-1-3-7(14)4-6/h1-4,8-10,14H,5,12H2
InChIKeyLFDMJSUZDGKYMH-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.31
Rot. Bonds1

About 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one

6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115009746) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115009746
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC1C2CN(c3cccc(O)c3)C(=O)C12
InChIInChI=1S/C11H12N2O2/c12-10-8-5-13(11(15)9(8)10)6-2-1-3-7(14)4-6/h1-4,8-10,14H,5,12H2
InChIKeyLFDMJSUZDGKYMH-UHFFFAOYSA-N
XLogP0.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 115009746) is 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one is NC1C2CN(c3cccc(O)c3)C(=O)C12.
What is the InChIKey of 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is LFDMJSUZDGKYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-10-8-5-13(11(15)9(8)10)6-2-1-3-7(14)4-6/h1-4,8-10,14H,5,12H2.
What are the key properties of 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one?
6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115009746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).