spiro[adamantane-2,2'-pyrrolidine];hydrochloride

C13H22ClN — CID 44562843

IUPACspiro[adamantane-2,2'-pyrrolidine];hydrochloride
SMILESC1CNC2(C1)C1CC3CC(C1)CC2C3.Cl
InChIInChI=1S/C13H21N.ClH/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12,14H,1-8H2;1H
InChIKeyJZLIAHKBHSSGPI-UHFFFAOYSA-N
MW227.78 g/mol
LogP2.99
Rot. Bonds

About spiro[adamantane-2,2'-pyrrolidine];hydrochloride

spiro[adamantane-2,2'-pyrrolidine];hydrochloride (PubChem CID 44562843) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is spiro[adamantane-2,2'-pyrrolidine];hydrochloride.

Molecular Properties

Compound Namespiro[adamantane-2,2'-pyrrolidine];hydrochloride
PubChem CID44562843
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Namespiro[adamantane-2,2'-pyrrolidine];hydrochloride
SMILESC1CNC2(C1)C1CC3CC(C1)CC2C3.Cl
InChIInChI=1S/C13H21N.ClH/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12,14H,1-8H2;1H
InChIKeyJZLIAHKBHSSGPI-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,2'-pyrrolidine];hydrochloride?
The IUPAC name of spiro[adamantane-2,2'-pyrrolidine];hydrochloride (CID 44562843) is spiro[adamantane-2,2'-pyrrolidine];hydrochloride.
What is the SMILES notation for spiro[adamantane-2,2'-pyrrolidine];hydrochloride?
The canonical SMILES for spiro[adamantane-2,2'-pyrrolidine];hydrochloride is C1CNC2(C1)C1CC3CC(C1)CC2C3.Cl.
What is the InChIKey of spiro[adamantane-2,2'-pyrrolidine];hydrochloride?
The InChIKey is JZLIAHKBHSSGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.ClH/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9;/h9-12,14H,1-8H2;1H.
What are the key properties of spiro[adamantane-2,2'-pyrrolidine];hydrochloride?
spiro[adamantane-2,2'-pyrrolidine];hydrochloride has a molecular weight of 227.78 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,2'-pyrrolidine];hydrochloride is sourced from PubChem (CID 44562843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).