[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine

C9H16N2O — CID 165469681

IUPAC[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine
SMILESNC[C@]12C[C@H]1COC21CCNC1
InChIInChI=1S/C9H16N2O/c10-5-8-3-7(8)4-12-9(8)1-2-11-6-9/h7,11H,1-6,10H2/t7-,8+,9?/m0/s1
InChIKeyZPSZJNFSBBGKCT-ZQTLJVIJSA-N
MW168.24 g/mol
LogP-0.29
Rot. Bonds1

About [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine

[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine (PubChem CID 165469681) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine.

Molecular Properties

Compound Name[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine
PubChem CID165469681
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine
SMILESNC[C@]12C[C@H]1COC21CCNC1
InChIInChI=1S/C9H16N2O/c10-5-8-3-7(8)4-12-9(8)1-2-11-6-9/h7,11H,1-6,10H2/t7-,8+,9?/m0/s1
InChIKeyZPSZJNFSBBGKCT-ZQTLJVIJSA-N
XLogP-0.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine with MolForge

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Related Compounds

3,3-difluoro-1-oxa-7-azaspiro[3.4]octane
CID 155262798
1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine
CID 57249972
(3R,5R)-1-oxa-7-azaspiro[4.4]nonan-3-ol
CID 129389910
[(5R,8S)-2-azaspiro[4.4]nonan-8-yl]methanamine
CID 97168977
(3-methoxypyrrolidin-3-yl)methanamine
CID 19694993
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
3-azabicyclo[4.1.0]heptan-6-amine
CID 117045485
2-azaspiro[4.5]decan-8-ylmethanamine
CID 71649170
3-[1-(aminomethyl)-3-methylcyclopentyl]pyrrolidin-3-ol
CID 79134673
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843
5-(aminomethyl)-3-ethyl-3,5-dimethylazepan-4-one
CID 155595949
3-(2,6-dioxaspiro[4.5]decan-9-yl)-3-fluoropyrrolidine
CID 112564317

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine?
The IUPAC name of [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine (CID 165469681) is [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine.
What is the SMILES notation for [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine?
The canonical SMILES for [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine is NC[C@]12C[C@H]1COC21CCNC1.
What is the InChIKey of [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine?
The InChIKey is ZPSZJNFSBBGKCT-ZQTLJVIJSA-N. The full InChI is InChI=1S/C9H16N2O/c10-5-8-3-7(8)4-12-9(8)1-2-11-6-9/h7,11H,1-6,10H2/t7-,8+,9?/m0/s1.
What are the key properties of [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine?
[(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine has a molecular weight of 168.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-spiro[3-oxabicyclo[3.1.0]hexane-2,3'-pyrrolidine]-1-yl]methanamine is sourced from PubChem (CID 165469681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).