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

C10H14O2 — CID 85385331

IUPAC1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
SMILESO=C1CC2CCC1(CO)C21CC1
InChIInChI=1S/C10H14O2/c11-6-10-2-1-7(5-8(10)12)9(10)3-4-9/h7,11H,1-6H2
InChIKeyAZTQEHBDWZOQEB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.13
Rot. Bonds1

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

1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one (PubChem CID 85385331) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
PubChem CID85385331
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one
SMILESO=C1CC2CCC1(CO)C21CC1
InChIInChI=1S/C10H14O2/c11-6-10-2-1-7(5-8(10)12)9(10)3-4-9/h7,11H,1-6H2
InChIKeyAZTQEHBDWZOQEB-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The IUPAC name of 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one (CID 85385331) is 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one.
What is the SMILES notation for 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The canonical SMILES for 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one is O=C1CC2CCC1(CO)C21CC1.
What is the InChIKey of 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
The InChIKey is AZTQEHBDWZOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-6-10-2-1-7(5-8(10)12)9(10)3-4-9/h7,11H,1-6H2.
What are the key properties of 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one?
1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-one is sourced from PubChem (CID 85385331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).