2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane

C10H18N2 — CID 91666946

IUPAC2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CN([C@H]1CCNC1)C2
InChIInChI=1S/C10H18N2/c1-3-10(4-1)7-12(8-10)9-2-5-11-6-9/h9,11H,1-8H2/t9-/m0/s1
InChIKeyDAXJPHAMBLVGHM-VIFPVBQESA-N
MW166.27 g/mol
LogP0.83
Rot. Bonds1

About 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane

2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane (PubChem CID 91666946) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane
PubChem CID91666946
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane
SMILESC1CC2(C1)CN([C@H]1CCNC1)C2
InChIInChI=1S/C10H18N2/c1-3-10(4-1)7-12(8-10)9-2-5-11-6-9/h9,11H,1-8H2/t9-/m0/s1
InChIKeyDAXJPHAMBLVGHM-VIFPVBQESA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane (CID 91666946) is 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane is C1CC2(C1)CN([C@H]1CCNC1)C2.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane?
The InChIKey is DAXJPHAMBLVGHM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2/c1-3-10(4-1)7-12(8-10)9-2-5-11-6-9/h9,11H,1-8H2/t9-/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane?
2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane has a molecular weight of 166.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 91666946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).