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

C12H13ClN2O — CID 115009653

IUPAC6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC1C2CN(Cc3ccccc3Cl)C(=O)C12
InChIInChI=1S/C12H13ClN2O/c13-9-4-2-1-3-7(9)5-15-6-8-10(11(8)14)12(15)16/h1-4,8,10-11H,5-6,14H2
InChIKeyKJSOVNUAGOCRBK-UHFFFAOYSA-N
MW236.70 g/mol
LogP1.26
Rot. Bonds2

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

6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115009653) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115009653
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC1C2CN(Cc3ccccc3Cl)C(=O)C12
InChIInChI=1S/C12H13ClN2O/c13-9-4-2-1-3-7(9)5-15-6-8-10(11(8)14)12(15)16/h1-4,8,10-11H,5-6,14H2
InChIKeyKJSOVNUAGOCRBK-UHFFFAOYSA-N
XLogP1.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one (CID 115009653) is 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one is NC1C2CN(Cc3ccccc3Cl)C(=O)C12.
What is the InChIKey of 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is KJSOVNUAGOCRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-9-4-2-1-3-7(9)5-15-6-8-10(11(8)14)12(15)16/h1-4,8,10-11H,5-6,14H2.
What are the key properties of 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one?
6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 236.70 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115009653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).