spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]

C9H16N2 — CID 22291204

IUPACspiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
SMILESC1CC2(CN1)C1CCN2CC1
InChIInChI=1S/C9H16N2/c1-5-11-6-2-8(1)9(11)3-4-10-7-9/h8,10H,1-7H2
InChIKeyKRMSXHMBJVUIRD-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.44
Rot. Bonds

About spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]

spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] (PubChem CID 22291204) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
PubChem CID22291204
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Namespiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]
SMILESC1CC2(CN1)C1CCN2CC1
InChIInChI=1S/C9H16N2/c1-5-11-6-2-8(1)9(11)3-4-10-7-9/h8,10H,1-7H2
InChIKeyKRMSXHMBJVUIRD-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
The IUPAC name of spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] (CID 22291204) is spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine].
What is the SMILES notation for spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
The canonical SMILES for spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] is C1CC2(CN1)C1CCN2CC1.
What is the InChIKey of spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
The InChIKey is KRMSXHMBJVUIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-11-6-2-8(1)9(11)3-4-10-7-9/h8,10H,1-7H2.
What are the key properties of spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]?
spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] has a molecular weight of 152.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine] is sourced from PubChem (CID 22291204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).