3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol

C17H24NO2- — CID 102215965

IUPAC3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol
SMILESCC1(C#CCO)CCC2(C3CC4CC(C3)CC2C4)N1[O-]
InChIInChI=1S/C17H24NO2/c1-16(3-2-6-19)4-5-17(18(16)20)14-8-12-7-13(10-14)11-15(17)9-12/h12-15,19H,4-11H2,1H3/q-1
InChIKeyZDHYZOTXCUHXHO-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.53
Rot. Bonds

About 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol

3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol (PubChem CID 102215965) has the molecular formula C17H24NO2- and a molecular weight of 274.38 g/mol. Its IUPAC name is 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol
PubChem CID102215965
Molecular FormulaC17H24NO2-
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol
SMILESCC1(C#CCO)CCC2(C3CC4CC(C3)CC2C4)N1[O-]
InChIInChI=1S/C17H24NO2/c1-16(3-2-6-19)4-5-17(18(16)20)14-8-12-7-13(10-14)11-15(17)9-12/h12-15,19H,4-11H2,1H3/q-1
InChIKeyZDHYZOTXCUHXHO-UHFFFAOYSA-N
XLogP2.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol (CID 102215965) is 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol is CC1(C#CCO)CCC2(C3CC4CC(C3)CC2C4)N1[O-].
What is the InChIKey of 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol?
The InChIKey is ZDHYZOTXCUHXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO2/c1-16(3-2-6-19)4-5-17(18(16)20)14-8-12-7-13(10-14)11-15(17)9-12/h12-15,19H,4-11H2,1H3/q-1.
What are the key properties of 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol?
3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol has a molecular weight of 274.38 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2'-methyl-1'-oxidospiro[adamantane-2,5'-pyrrolidine]-2'-yl)prop-2-yn-1-ol is sourced from PubChem (CID 102215965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).