spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]

C8H11N — CID 163598015

IUPACspiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]
SMILESC1CC2C1CC21C2NC21
InChIInChI=1S/C8H11N/c1-2-5-4(1)3-8(5)6-7(8)9-6/h4-7,9H,1-3H2
InChIKeyGVDXYLPFIUBEAW-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.76
Rot. Bonds

About spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]

spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane] (PubChem CID 163598015) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane].

Molecular Properties

Compound Namespiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]
PubChem CID163598015
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namespiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]
SMILESC1CC2C1CC21C2NC21
InChIInChI=1S/C8H11N/c1-2-5-4(1)3-8(5)6-7(8)9-6/h4-7,9H,1-3H2
InChIKeyGVDXYLPFIUBEAW-UHFFFAOYSA-N
XLogP0.76
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylbicyclo[2.2.0]hexan-2-amine
CID 123842739
2,2,7-trimethylbicyclo[2.2.1]heptane
CID 18669850
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498
(1R,2S,4S,7R,10R)-2-[(1S,2S,4S,7S,10R)-2-hydroxy-2-tricyclo[5.2.1.04,10]decanyl]tricyclo[5.2.1.04,10]decan-2-ol
CID 124806712
bicyclo[2.2.0]hexane
CID 158697132
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane
CID 149005122
1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
2,2,4-trimethylbicyclo[5.2.0]nonane
CID 123508525
tricyclo[3.2.1.01,4]octane
CID 90707927
1-chloro-2-cyclopropyl-1-fluorocyclopropane
CID 134853873
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
CID 168971709
5,5-difluoro-2-azabicyclo[2.2.2]octane-3-carboxylic acid;hydrochloride
CID 122200620

Frequently Asked Questions

What is the IUPAC name of spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]?
The IUPAC name of spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane] (CID 163598015) is spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane].
What is the SMILES notation for spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]?
The canonical SMILES for spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane] is C1CC2C1CC21C2NC21.
What is the InChIKey of spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]?
The InChIKey is GVDXYLPFIUBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-5-4(1)3-8(5)6-7(8)9-6/h4-7,9H,1-3H2.
What are the key properties of spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane]?
spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane] has a molecular weight of 121.18 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-azabicyclo[1.1.0]butane-4,2'-bicyclo[2.2.0]hexane] is sourced from PubChem (CID 163598015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).