1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine

C14H23N — CID 54754682

IUPAC1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
SMILESC1CCN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C14H23N/c1-2-9-15(8-1)13-11-4-5-12(10-11)14(13)6-3-7-14/h11-13H,1-10H2
InChIKeyAHQJNELNWOYYQN-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.05
Rot. Bonds1

About 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine

1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine (PubChem CID 54754682) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine.

Molecular Properties

Compound Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
PubChem CID54754682
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
SMILESC1CCN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C14H23N/c1-2-9-15(8-1)13-11-4-5-12(10-11)14(13)6-3-7-14/h11-13H,1-10H2
InChIKeyAHQJNELNWOYYQN-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
The IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine (CID 54754682) is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine.
What is the SMILES notation for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
The canonical SMILES for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine is C1CCN(C2C3CCC(C3)C23CCC3)C1.
What is the InChIKey of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
The InChIKey is AHQJNELNWOYYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-2-9-15(8-1)13-11-4-5-12(10-11)14(13)6-3-7-14/h11-13H,1-10H2.
What are the key properties of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine?
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine is sourced from PubChem (CID 54754682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).