(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol

C11H17NO — CID 130708115

IUPAC(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol
SMILESC#CCN1CCC2(CC1)CC2CO
InChIInChI=1S/C11H17NO/c1-2-5-12-6-3-11(4-7-12)8-10(11)9-13/h1,10,13H,3-9H2
InChIKeyYTDDSJPFGPQDJQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.71
Rot. Bonds2

About (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol

(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol (PubChem CID 130708115) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol.

Molecular Properties

Compound Name(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol
PubChem CID130708115
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol
SMILESC#CCN1CCC2(CC1)CC2CO
InChIInChI=1S/C11H17NO/c1-2-5-12-6-3-11(4-7-12)8-10(11)9-13/h1,10,13H,3-9H2
InChIKeyYTDDSJPFGPQDJQ-UHFFFAOYSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol?
The IUPAC name of (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol (CID 130708115) is (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol.
What is the SMILES notation for (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol?
The canonical SMILES for (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol is C#CCN1CCC2(CC1)CC2CO.
What is the InChIKey of (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol?
The InChIKey is YTDDSJPFGPQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-5-12-6-3-11(4-7-12)8-10(11)9-13/h1,10,13H,3-9H2.
What are the key properties of (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol?
(6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol has a molecular weight of 179.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-prop-2-ynyl-6-azaspiro[2.5]octan-2-yl)methanol is sourced from PubChem (CID 130708115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).