(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane

C12H16N2O — CID 170207499

IUPAC(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane
SMILESCC(C)c1ccc(N2C[C@H]3OCC32)nc1
InChIInChI=1S/C12H16N2O/c1-8(2)9-3-4-12(13-5-9)14-6-11-10(14)7-15-11/h3-5,8,10-11H,6-7H2,1-2H3/t10?,11-/m1/s1
InChIKeyLTWDFHGOOBVLDE-RRKGBCIJSA-N
MW204.27 g/mol
LogP1.79
Rot. Bonds2

About (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane

(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane (PubChem CID 170207499) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane
PubChem CID170207499
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane
SMILESCC(C)c1ccc(N2C[C@H]3OCC32)nc1
InChIInChI=1S/C12H16N2O/c1-8(2)9-3-4-12(13-5-9)14-6-11-10(14)7-15-11/h3-5,8,10-11H,6-7H2,1-2H3/t10?,11-/m1/s1
InChIKeyLTWDFHGOOBVLDE-RRKGBCIJSA-N
XLogP1.79
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane?
The IUPAC name of (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane (CID 170207499) is (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane.
What is the SMILES notation for (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane?
The canonical SMILES for (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane is CC(C)c1ccc(N2C[C@H]3OCC32)nc1.
What is the InChIKey of (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane?
The InChIKey is LTWDFHGOOBVLDE-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)9-3-4-12(13-5-9)14-6-11-10(14)7-15-11/h3-5,8,10-11H,6-7H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane?
(1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane has a molecular weight of 204.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-(5-propan-2-yl-2-pyridinyl)-2-oxa-5-azabicyclo[2.2.0]hexane is sourced from PubChem (CID 170207499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).