6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C10H15N3O — CID 72742222

IUPAC6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(N2CCOCC2)C2CNCC21
InChIInChI=1S/C10H15N3O/c11-7-10(8-5-12-6-9(8)10)13-1-3-14-4-2-13/h8-9,12H,1-6H2
InChIKeyGGAYCPTUNJSPMQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.57
Rot. Bonds1

About 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile

6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 72742222) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID72742222
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
SMILESN#CC1(N2CCOCC2)C2CNCC21
InChIInChI=1S/C10H15N3O/c11-7-10(8-5-12-6-9(8)10)13-1-3-14-4-2-13/h8-9,12H,1-6H2
InChIKeyGGAYCPTUNJSPMQ-UHFFFAOYSA-N
XLogP-0.57
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 72742222) is 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(N2CCOCC2)C2CNCC21.
What is the InChIKey of 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is GGAYCPTUNJSPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-7-10(8-5-12-6-9(8)10)13-1-3-14-4-2-13/h8-9,12H,1-6H2.
What are the key properties of 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile?
6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 72742222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).