spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one

C9H12O — CID 15761091

IUPACspiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
SMILESO=C1CC2CCC1C21CC1
InChIInChI=1S/C9H12O/c10-8-5-6-1-2-7(8)9(6)3-4-9/h6-7H,1-5H2
InChIKeyFBUMUFCFIOFESU-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.77
Rot. Bonds

About spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one

spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one (PubChem CID 15761091) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one.

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
PubChem CID15761091
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namespiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
SMILESO=C1CC2CCC1C21CC1
InChIInChI=1S/C9H12O/c10-8-5-6-1-2-7(8)9(6)3-4-9/h6-7H,1-5H2
InChIKeyFBUMUFCFIOFESU-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The IUPAC name of spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one (CID 15761091) is spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one.
What is the SMILES notation for spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The canonical SMILES for spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one is O=C1CC2CCC1C21CC1.
What is the InChIKey of spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The InChIKey is FBUMUFCFIOFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-8-5-6-1-2-7(8)9(6)3-4-9/h6-7H,1-5H2.
What are the key properties of spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one has a molecular weight of 136.19 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one is sourced from PubChem (CID 15761091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).