3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one

C15H24N2O — CID 20589985

IUPAC3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCC3CC32)C1=O
InChIInChI=1S/C15H24N2O/c1-16-14-6-11-4-12(11)8-17(15(14)18)7-10-3-2-9-5-13(9)10/h9-14,16H,2-8H2,1H3
InChIKeyVWANZRSFENTUBP-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.49
Rot. Bonds3

About 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one

3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 20589985) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID20589985
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2CCC3CC32)C1=O
InChIInChI=1S/C15H24N2O/c1-16-14-6-11-4-12(11)8-17(15(14)18)7-10-3-2-9-5-13(9)10/h9-14,16H,2-8H2,1H3
InChIKeyVWANZRSFENTUBP-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one (CID 20589985) is 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2CCC3CC32)C1=O.
What is the InChIKey of 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is VWANZRSFENTUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-14-6-11-4-12(11)8-17(15(14)18)7-10-3-2-9-5-13(9)10/h9-14,16H,2-8H2,1H3.
What are the key properties of 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one?
3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 248.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[3.1.0]hexanylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 20589985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).