trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol

C12H21NO3 — CID 126846526

IUPACtrans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO3/c14-11-3-1-2-10(11)13-6-4-12(5-7-13)15-8-9-16-12/h10-11,14H,1-9H2/t10-,11-/m1/s1
InChIKeyPBCRTEJIYVXVHQ-GHMZBOCLSA-N
MW227.30 g/mol
LogP0.74
Rot. Bonds1

About trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol (PubChem CID 126846526) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
PubChem CID126846526
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nametrans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1N1CCC2(CC1)OCCO2
InChIInChI=1S/C12H21NO3/c14-11-3-1-2-10(11)13-6-4-12(5-7-13)15-8-9-16-12/h10-11,14H,1-9H2/t10-,11-/m1/s1
InChIKeyPBCRTEJIYVXVHQ-GHMZBOCLSA-N
XLogP0.74
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol (CID 126846526) is trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1N1CCC2(CC1)OCCO2.
What is the InChIKey of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol?
The InChIKey is PBCRTEJIYVXVHQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11-3-1-2-10(11)13-6-4-12(5-7-13)15-8-9-16-12/h10-11,14H,1-9H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol has a molecular weight of 227.30 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol is sourced from PubChem (CID 126846526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).