spiro[adamantane-2,3'-pyrrolidine]

C13H21N — CID 3009946

IUPACspiro[adamantane-2,3'-pyrrolidine]
SMILESC1CC2(CN1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H21N/c1-2-14-8-13(1)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14H,1-8H2
InChIKeyDWSGKVKRCLBYAA-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.42
Rot. Bonds

About spiro[adamantane-2,3'-pyrrolidine]

spiro[adamantane-2,3'-pyrrolidine] (PubChem CID 3009946) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is spiro[adamantane-2,3'-pyrrolidine].

Molecular Properties

Compound Namespiro[adamantane-2,3'-pyrrolidine]
PubChem CID3009946
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Namespiro[adamantane-2,3'-pyrrolidine]
SMILESC1CC2(CN1)C1CC3CC(C1)CC2C3
InChIInChI=1S/C13H21N/c1-2-14-8-13(1)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14H,1-8H2
InChIKeyDWSGKVKRCLBYAA-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,3'-pyrrolidine]?
The IUPAC name of spiro[adamantane-2,3'-pyrrolidine] (CID 3009946) is spiro[adamantane-2,3'-pyrrolidine].
What is the SMILES notation for spiro[adamantane-2,3'-pyrrolidine]?
The canonical SMILES for spiro[adamantane-2,3'-pyrrolidine] is C1CC2(CN1)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[adamantane-2,3'-pyrrolidine]?
The InChIKey is DWSGKVKRCLBYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-14-8-13(1)11-4-9-3-10(6-11)7-12(13)5-9/h9-12,14H,1-8H2.
What are the key properties of spiro[adamantane-2,3'-pyrrolidine]?
spiro[adamantane-2,3'-pyrrolidine] has a molecular weight of 191.32 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,3'-pyrrolidine] is sourced from PubChem (CID 3009946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).