1-(2-azaspiro[3.3]heptan-6-yl)ethenol

C8H13NO — CID 118185513

IUPAC1-(2-azaspiro[3.3]heptan-6-yl)ethenol
SMILESC=C(O)C1CC2(CNC2)C1
InChIInChI=1S/C8H13NO/c1-6(10)7-2-8(3-7)4-9-5-8/h7,9-10H,1-5H2
InChIKeyGZPHMTPHMPWWLY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.06
Rot. Bonds1

About 1-(2-azaspiro[3.3]heptan-6-yl)ethenol

1-(2-azaspiro[3.3]heptan-6-yl)ethenol (PubChem CID 118185513) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-azaspiro[3.3]heptan-6-yl)ethenol.

Molecular Properties

Compound Name1-(2-azaspiro[3.3]heptan-6-yl)ethenol
PubChem CID118185513
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2-azaspiro[3.3]heptan-6-yl)ethenol
SMILESC=C(O)C1CC2(CNC2)C1
InChIInChI=1S/C8H13NO/c1-6(10)7-2-8(3-7)4-9-5-8/h7,9-10H,1-5H2
InChIKeyGZPHMTPHMPWWLY-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[3.3]heptan-6-yl)ethenol?
The IUPAC name of 1-(2-azaspiro[3.3]heptan-6-yl)ethenol (CID 118185513) is 1-(2-azaspiro[3.3]heptan-6-yl)ethenol.
What is the SMILES notation for 1-(2-azaspiro[3.3]heptan-6-yl)ethenol?
The canonical SMILES for 1-(2-azaspiro[3.3]heptan-6-yl)ethenol is C=C(O)C1CC2(CNC2)C1.
What is the InChIKey of 1-(2-azaspiro[3.3]heptan-6-yl)ethenol?
The InChIKey is GZPHMTPHMPWWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(10)7-2-8(3-7)4-9-5-8/h7,9-10H,1-5H2.
What are the key properties of 1-(2-azaspiro[3.3]heptan-6-yl)ethenol?
1-(2-azaspiro[3.3]heptan-6-yl)ethenol has a molecular weight of 139.20 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[3.3]heptan-6-yl)ethenol is sourced from PubChem (CID 118185513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).