2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol

C12H21NO — CID 54025223

IUPAC2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol
SMILESOCCN1CCCC2(C=CCCC2)C1
InChIInChI=1S/C12H21NO/c14-10-9-13-8-4-7-12(11-13)5-2-1-3-6-12/h2,5,14H,1,3-4,6-11H2
InChIKeyLBSFUDWSJXSGBW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol

2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol (PubChem CID 54025223) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol
PubChem CID54025223
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol
SMILESOCCN1CCCC2(C=CCCC2)C1
InChIInChI=1S/C12H21NO/c14-10-9-13-8-4-7-12(11-13)5-2-1-3-6-12/h2,5,14H,1,3-4,6-11H2
InChIKeyLBSFUDWSJXSGBW-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol?
The IUPAC name of 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol (CID 54025223) is 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol.
What is the SMILES notation for 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol?
The canonical SMILES for 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol is OCCN1CCCC2(C=CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol?
The InChIKey is LBSFUDWSJXSGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-10-9-13-8-4-7-12(11-13)5-2-1-3-6-12/h2,5,14H,1,3-4,6-11H2.
What are the key properties of 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol?
2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[5.5]undec-10-en-2-yl)ethanol is sourced from PubChem (CID 54025223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).