spiro[adamantane-2,2'-pyrrolidine]

C13H21N — CID 508063

IUPACspiro[adamantane-2,2'-pyrrolidine]
SMILESC1CNC2(C1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H21N/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14H,1-8H2
InChIKeyBCUHESAGKKNPKY-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.56
Rot. Bonds

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

spiro[adamantane-2,2'-pyrrolidine] (PubChem CID 508063) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is spiro[adamantane-2,2'-pyrrolidine].

Molecular Properties

Compound Namespiro[adamantane-2,2'-pyrrolidine]
PubChem CID508063
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Namespiro[adamantane-2,2'-pyrrolidine]
SMILESC1CNC2(C1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H21N/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14H,1-8H2
InChIKeyBCUHESAGKKNPKY-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.56
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]?
The IUPAC name of spiro[adamantane-2,2'-pyrrolidine] (CID 508063) is spiro[adamantane-2,2'-pyrrolidine].
What is the SMILES notation for spiro[adamantane-2,2'-pyrrolidine]?
The canonical SMILES for spiro[adamantane-2,2'-pyrrolidine] is C1CNC2(C1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[adamantane-2,2'-pyrrolidine]?
The InChIKey is BCUHESAGKKNPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-13(14-3-1)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14H,1-8H2.
What are the key properties of spiro[adamantane-2,2'-pyrrolidine]?
spiro[adamantane-2,2'-pyrrolidine] has a molecular weight of 191.32 g/mol, XLogP of 2.56, 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] is sourced from PubChem (CID 508063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).