(2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]

C9H16N2 — CID 96533176

IUPAC(2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
SMILESC1C[C@@]2(CN1)C[C@H]1CCN2C1
InChIInChI=1S/C9H16N2/c1-4-11-6-8(1)5-9(11)2-3-10-7-9/h8,10H,1-7H2/t8-,9+/m1/s1
InChIKeyJELLCUBKSQEJGE-BDAKNGLRSA-N
MW152.24 g/mol
LogP0.44
Rot. Bonds

About (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]

(2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine] (PubChem CID 96533176) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine].

Molecular Properties

Compound Name(2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
PubChem CID96533176
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
SMILESC1C[C@@]2(CN1)C[C@H]1CCN2C1
InChIInChI=1S/C9H16N2/c1-4-11-6-8(1)5-9(11)2-3-10-7-9/h8,10H,1-7H2/t8-,9+/m1/s1
InChIKeyJELLCUBKSQEJGE-BDAKNGLRSA-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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Related Compounds

6-azatricyclo[6.1.1.01,6]decane
CID 177199832
ethane;1-methyl-1,7-diazaspiro[3.4]octane
CID 143687506
1-(2,5-diazaspiro[3.4]octan-7-yl)-1,7-diazaspiro[3.4]octane
CID 167199390
1'-pyrimidin-5-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];tetrahydrochloride
CID 53487221
1-(1-adamantyl)-3-cyclopropyl-1,4-diazepane
CID 64941689
1-methyl-1,7-diazaspiro[4.4]nonane
CID 52988115
(5S)-1-methyl-1,7-diazaspiro[4.4]nonane
CID 86326981
1-ethyl-1,7-diazaspiro[3.4]octane
CID 172607243
1-(1-tricyclo[3.3.1.03,7]nonanyl)piperazine
CID 54299292
1-piperidin-4-yl-1,6-diazaspiro[3.3]heptane
CID 162741869
1-(3-methyl-1-bicyclo[3.3.1]nonanyl)piperazine
CID 166955946
1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131638198

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
The IUPAC name of (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine] (CID 96533176) is (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine].
What is the SMILES notation for (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
The canonical SMILES for (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine] is C1C[C@@]2(CN1)C[C@H]1CCN2C1.
What is the InChIKey of (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
The InChIKey is JELLCUBKSQEJGE-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-11-6-8(1)5-9(11)2-3-10-7-9/h8,10H,1-7H2/t8-,9+/m1/s1.
What are the key properties of (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]?
(2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-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 (2R,4R)-spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine] is sourced from PubChem (CID 96533176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).