(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane

C14H17N — CID 44561255

IUPAC(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1cc2c(cc1[C@@]13CNC[C@@H]1C3)CCC2
InChIInChI=1S/C14H17N/c1-2-10-4-5-12(6-11(10)3-1)14-7-13(14)8-15-9-14/h4-6,13,15H,1-3,7-9H2/t13-,14+/m0/s1
InChIKeyJZZRHFYNTMGOKH-UONOGXRCSA-N
MW199.30 g/mol
LogP2.04
Rot. Bonds1

About (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane

(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 44561255) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID44561255
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane
SMILESc1cc2c(cc1[C@@]13CNC[C@@H]1C3)CCC2
InChIInChI=1S/C14H17N/c1-2-10-4-5-12(6-11(10)3-1)14-7-13(14)8-15-9-14/h4-6,13,15H,1-3,7-9H2/t13-,14+/m0/s1
InChIKeyJZZRHFYNTMGOKH-UONOGXRCSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane (CID 44561255) is (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane is c1cc2c(cc1[C@@]13CNC[C@@H]1C3)CCC2.
What is the InChIKey of (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is JZZRHFYNTMGOKH-UONOGXRCSA-N. The full InChI is InChI=1S/C14H17N/c1-2-10-4-5-12(6-11(10)3-1)14-7-13(14)8-15-9-14/h4-6,13,15H,1-3,7-9H2/t13-,14+/m0/s1.
What are the key properties of (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane?
(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 199.30 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 44561255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).