3-(5-azaspiro[2.4]heptan-2-yl)phenol

C12H15NO — CID 115017881

IUPAC3-(5-azaspiro[2.4]heptan-2-yl)phenol
SMILESOc1cccc(C2CC23CCNC3)c1
InChIInChI=1S/C12H15NO/c14-10-3-1-2-9(6-10)11-7-12(11)4-5-13-8-12/h1-3,6,11,13-14H,4-5,7-8H2
InChIKeyMFXALMURGMNVHC-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.86
Rot. Bonds1

About 3-(5-azaspiro[2.4]heptan-2-yl)phenol

3-(5-azaspiro[2.4]heptan-2-yl)phenol (PubChem CID 115017881) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(5-azaspiro[2.4]heptan-2-yl)phenol.

Molecular Properties

Compound Name3-(5-azaspiro[2.4]heptan-2-yl)phenol
PubChem CID115017881
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(5-azaspiro[2.4]heptan-2-yl)phenol
SMILESOc1cccc(C2CC23CCNC3)c1
InChIInChI=1S/C12H15NO/c14-10-3-1-2-9(6-10)11-7-12(11)4-5-13-8-12/h1-3,6,11,13-14H,4-5,7-8H2
InChIKeyMFXALMURGMNVHC-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
3-(3,3-difluoropiperidin-4-yl)phenol
CID 105426893
(2S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptane
CID 139543309
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
3-pyrrolidin-3-ylphenol
CID 12937992
11-(3-fluorophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79433041
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-(4-fluoro-4-methylpyrrolidin-2-yl)phenol
CID 84720458
3-[2-(1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl)ethynyl]phenol
CID 57493842
3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
CID 11052767
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352

Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[2.4]heptan-2-yl)phenol?
The IUPAC name of 3-(5-azaspiro[2.4]heptan-2-yl)phenol (CID 115017881) is 3-(5-azaspiro[2.4]heptan-2-yl)phenol.
What is the SMILES notation for 3-(5-azaspiro[2.4]heptan-2-yl)phenol?
The canonical SMILES for 3-(5-azaspiro[2.4]heptan-2-yl)phenol is Oc1cccc(C2CC23CCNC3)c1.
What is the InChIKey of 3-(5-azaspiro[2.4]heptan-2-yl)phenol?
The InChIKey is MFXALMURGMNVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-10-3-1-2-9(6-10)11-7-12(11)4-5-13-8-12/h1-3,6,11,13-14H,4-5,7-8H2.
What are the key properties of 3-(5-azaspiro[2.4]heptan-2-yl)phenol?
3-(5-azaspiro[2.4]heptan-2-yl)phenol has a molecular weight of 189.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[2.4]heptan-2-yl)phenol is sourced from PubChem (CID 115017881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).