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

C10H16 — CID 22273219

IUPACspiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
SMILESC1CC2(C1)CC1CCC2C1
InChIInChI=1S/C10H16/c1-4-10(5-1)7-8-2-3-9(10)6-8/h8-9H,1-7H2
InChIKeyNXTKBPHNXCIQHP-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds

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

spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane] (PubChem CID 22273219) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
PubChem CID22273219
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Namespiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
SMILESC1CC2(C1)CC1CCC2C1
InChIInChI=1S/C10H16/c1-4-10(5-1)7-8-2-3-9(10)6-8/h8-9H,1-7H2
InChIKeyNXTKBPHNXCIQHP-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]?
The IUPAC name of spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane] (CID 22273219) is spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane].
What is the SMILES notation for spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]?
The canonical SMILES for spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane] is C1CC2(C1)CC1CCC2C1.
What is the InChIKey of spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]?
The InChIKey is NXTKBPHNXCIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-10(5-1)7-8-2-3-9(10)6-8/h8-9H,1-7H2.
What are the key properties of spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]?
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane] has a molecular weight of 136.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane] is sourced from PubChem (CID 22273219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).