6-hydroxybicyclo[2.2.1]heptan-2-one

C7H10O2 — CID 58488561

IUPAC6-hydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CC(O)C1C2
InChIInChI=1S/C7H10O2/c8-6-2-4-1-5(6)7(9)3-4/h4-6,8H,1-3H2
InChIKeyHYCVSKMFIGSGDD-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.35
Rot. Bonds

About 6-hydroxybicyclo[2.2.1]heptan-2-one

6-hydroxybicyclo[2.2.1]heptan-2-one (PubChem CID 58488561) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 6-hydroxybicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name6-hydroxybicyclo[2.2.1]heptan-2-one
PubChem CID58488561
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name6-hydroxybicyclo[2.2.1]heptan-2-one
SMILESO=C1CC2CC(O)C1C2
InChIInChI=1S/C7H10O2/c8-6-2-4-1-5(6)7(9)3-4/h4-6,8H,1-3H2
InChIKeyHYCVSKMFIGSGDD-UHFFFAOYSA-N
XLogP0.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxybicyclo[2.2.1]heptan-2-one?
The IUPAC name of 6-hydroxybicyclo[2.2.1]heptan-2-one (CID 58488561) is 6-hydroxybicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 6-hydroxybicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 6-hydroxybicyclo[2.2.1]heptan-2-one is O=C1CC2CC(O)C1C2.
What is the InChIKey of 6-hydroxybicyclo[2.2.1]heptan-2-one?
The InChIKey is HYCVSKMFIGSGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-2-4-1-5(6)7(9)3-4/h4-6,8H,1-3H2.
What are the key properties of 6-hydroxybicyclo[2.2.1]heptan-2-one?
6-hydroxybicyclo[2.2.1]heptan-2-one has a molecular weight of 126.16 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxybicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 58488561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).