3-hydroxybicyclo[3.2.1]octan-2-one

C8H12O2 — CID 130037946

IUPAC3-hydroxybicyclo[3.2.1]octan-2-one
SMILESO=C1C(O)CC2CCC1C2
InChIInChI=1S/C8H12O2/c9-7-4-5-1-2-6(3-5)8(7)10/h5-7,9H,1-4H2
InChIKeyPFFICGFSYHLOGI-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.74
Rot. Bonds

About 3-hydroxybicyclo[3.2.1]octan-2-one

3-hydroxybicyclo[3.2.1]octan-2-one (PubChem CID 130037946) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-hydroxybicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name3-hydroxybicyclo[3.2.1]octan-2-one
PubChem CID130037946
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-hydroxybicyclo[3.2.1]octan-2-one
SMILESO=C1C(O)CC2CCC1C2
InChIInChI=1S/C8H12O2/c9-7-4-5-1-2-6(3-5)8(7)10/h5-7,9H,1-4H2
InChIKeyPFFICGFSYHLOGI-UHFFFAOYSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1S)-1-hydroxyethyl]bicyclo[3.2.1]octan-2-one
CID 135038887
(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one
CID 10887906
(1S,3R,6S,8S)-tricyclo[4.2.1.03,8]nonan-2-one
CID 139323023
(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
CID 14813870
3-(oxomethylidene)bicyclo[3.2.1]octan-2-one
CID 91554267
2,5-dihydroxy-3-(methylamino)cyclopentan-1-one
CID 174282703
7-hydroxybicyclo[3.2.1]octan-6-one
CID 15203399
bicyclo[1.1.1]pentan-2-one
CID 13356641
3,5-dihydroxypiperidin-4-one
CID 91327610
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
CID 98052490
tricyclo[8.2.1.14,7]tetradecane-5,6,11,12-tetrone
CID 139469180
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybicyclo[3.2.1]octan-2-one?
The IUPAC name of 3-hydroxybicyclo[3.2.1]octan-2-one (CID 130037946) is 3-hydroxybicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 3-hydroxybicyclo[3.2.1]octan-2-one?
The canonical SMILES for 3-hydroxybicyclo[3.2.1]octan-2-one is O=C1C(O)CC2CCC1C2.
What is the InChIKey of 3-hydroxybicyclo[3.2.1]octan-2-one?
The InChIKey is PFFICGFSYHLOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-4-5-1-2-6(3-5)8(7)10/h5-7,9H,1-4H2.
What are the key properties of 3-hydroxybicyclo[3.2.1]octan-2-one?
3-hydroxybicyclo[3.2.1]octan-2-one has a molecular weight of 140.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 130037946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).