[(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol

C8H13NO — CID 55287664

IUPAC[(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol
SMILESOC[C@H]1NC[C@H]2[C@@H]1C21CC1
InChIInChI=1S/C8H13NO/c10-4-6-7-5(3-9-6)8(7)1-2-8/h5-7,9-10H,1-4H2/t5-,6+,7-/m0/s1
InChIKeySXGAMZOROMTXDV-XVMARJQXSA-N
MW139.20 g/mol
LogP-0.02
Rot. Bonds1

About [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol

[(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol (PubChem CID 55287664) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol
PubChem CID55287664
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name[(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol
SMILESOC[C@H]1NC[C@H]2[C@@H]1C21CC1
InChIInChI=1S/C8H13NO/c10-4-6-7-5(3-9-6)8(7)1-2-8/h5-7,9-10H,1-4H2/t5-,6+,7-/m0/s1
InChIKeySXGAMZOROMTXDV-XVMARJQXSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol?
The IUPAC name of [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol (CID 55287664) is [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol.
What is the SMILES notation for [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol?
The canonical SMILES for [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol is OC[C@H]1NC[C@H]2[C@@H]1C21CC1.
What is the InChIKey of [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol?
The InChIKey is SXGAMZOROMTXDV-XVMARJQXSA-N. The full InChI is InChI=1S/C8H13NO/c10-4-6-7-5(3-9-6)8(7)1-2-8/h5-7,9-10H,1-4H2/t5-,6+,7-/m0/s1.
What are the key properties of [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol?
[(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol has a molecular weight of 139.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5S)-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-yl]methanol is sourced from PubChem (CID 55287664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).