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

C13H21N — CID 54754683

IUPAC1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
SMILESC1CN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C13H21N/c1-5-13(6-1)11-4-3-10(9-11)12(13)14-7-2-8-14/h10-12H,1-9H2
InChIKeyBCAKRPNYRZTACK-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.66
Rot. Bonds1

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

1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine (PubChem CID 54754683) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine.

Molecular Properties

Compound Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
PubChem CID54754683
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
SMILESC1CN(C2C3CCC(C3)C23CCC3)C1
InChIInChI=1S/C13H21N/c1-5-13(6-1)11-4-3-10(9-11)12(13)14-7-2-8-14/h10-12H,1-9H2
InChIKeyBCAKRPNYRZTACK-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.66
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-ylazetidine?
The IUPAC name of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine (CID 54754683) is 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine.
What is the SMILES notation for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
The canonical SMILES for 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine is C1CN(C2C3CCC(C3)C23CCC3)C1.
What is the InChIKey of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
The InChIKey is BCAKRPNYRZTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-13(6-1)11-4-3-10(9-11)12(13)14-7-2-8-14/h10-12H,1-9H2.
What are the key properties of 1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine?
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine has a molecular weight of 191.32 g/mol, XLogP of 2.66, 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-ylazetidine is sourced from PubChem (CID 54754683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).