spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one

C11H14O — CID 89016729

IUPACspiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one
SMILESO=C1CCC2(C1)CC1C3CC13C2
InChIInChI=1S/C11H14O/c12-7-1-2-10(3-7)4-8-9-5-11(8,9)6-10/h8-9H,1-6H2
InChIKeyALENVECAUNTKEW-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.16
Rot. Bonds

About spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one

spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one (PubChem CID 89016729) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one.

Molecular Properties

Compound Namespiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one
PubChem CID89016729
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Namespiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one
SMILESO=C1CCC2(C1)CC1C3CC13C2
InChIInChI=1S/C11H14O/c12-7-1-2-10(3-7)4-8-9-5-11(8,9)6-10/h8-9H,1-6H2
InChIKeyALENVECAUNTKEW-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one?
The IUPAC name of spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one (CID 89016729) is spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one.
What is the SMILES notation for spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one?
The canonical SMILES for spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one is O=C1CCC2(C1)CC1C3CC13C2.
What is the InChIKey of spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one?
The InChIKey is ALENVECAUNTKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c12-7-1-2-10(3-7)4-8-9-5-11(8,9)6-10/h8-9H,1-6H2.
What are the key properties of spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one?
spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one has a molecular weight of 162.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopentane-3,3'-tricyclo[3.2.0.01,6]heptane]-1-one is sourced from PubChem (CID 89016729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).