(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane

C11H13NO — CID 88764245

IUPAC(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(CN2C[C@H]3O[C@@H]3C2)cc1
InChIInChI=1S/C11H13NO/c1-2-4-9(5-3-1)6-12-7-10-11(8-12)13-10/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChIKeySOOHWZBGWRAMJJ-GHMZBOCLSA-N
MW175.23 g/mol
LogP1.27
Rot. Bonds2

About (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane

(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 88764245) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID88764245
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(CN2C[C@H]3O[C@@H]3C2)cc1
InChIInChI=1S/C11H13NO/c1-2-4-9(5-3-1)6-12-7-10-11(8-12)13-10/h1-5,10-11H,6-8H2/t10-,11-/m1/s1
InChIKeySOOHWZBGWRAMJJ-GHMZBOCLSA-N
XLogP1.27
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole
CID 72622975
(3aS,9aS)-2-benzyl-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrole
CID 13307148
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
3-[(4-chlorophenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexane
CID 87480861
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337
1-benzyl-3,6-dihydro-2H-pyridine;tris(3-benzyl-7-oxa-3-azabicyclo[4.1.0]heptane)
CID 162168565
[(2S,6S)-4-benzyl-6-cyclopropylmorpholin-2-yl]methanol
CID 139343303
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane (CID 88764245) is (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane is c1ccc(CN2C[C@H]3O[C@@H]3C2)cc1.
What is the InChIKey of (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is SOOHWZBGWRAMJJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-4-9(5-3-1)6-12-7-10-11(8-12)13-10/h1-5,10-11H,6-8H2/t10-,11-/m1/s1.
What are the key properties of (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane?
(1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 175.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-benzyl-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 88764245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).