7-hydroxybicyclo[3.2.1]octan-6-one

C8H12O2 — CID 15203399

IUPAC7-hydroxybicyclo[3.2.1]octan-6-one
SMILESO=C1C2CCCC(C2)C1O
InChIInChI=1S/C8H12O2/c9-7-5-2-1-3-6(4-5)8(7)10/h5-7,9H,1-4H2
InChIKeyMXRMXXGXFJHHRX-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.74
Rot. Bonds

About 7-hydroxybicyclo[3.2.1]octan-6-one

7-hydroxybicyclo[3.2.1]octan-6-one (PubChem CID 15203399) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 7-hydroxybicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name7-hydroxybicyclo[3.2.1]octan-6-one
PubChem CID15203399
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name7-hydroxybicyclo[3.2.1]octan-6-one
SMILESO=C1C2CCCC(C2)C1O
InChIInChI=1S/C8H12O2/c9-7-5-2-1-3-6(4-5)8(7)10/h5-7,9H,1-4H2
InChIKeyMXRMXXGXFJHHRX-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

(1R,3R,4S)-3-hydroxybicyclo[2.2.1]heptan-2-one
CID 10887906
tricyclo[9.2.1.14,7]pentadecane-5,6,12,13-tetrone
CID 155116648
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294
(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
CID 97033379
bicyclo[3.3.1]nonane-2,3,4-trione
CID 91546154
(1R,5S,6R)-6-(hydroxymethyl)bicyclo[3.2.1]octan-8-one
CID 13213099
(3R)-3,6-dihydroxycyclohexane-1,2-dione
CID 123290269
9-oxatricyclo[5.3.1.03,8]undecan-10-one
CID 85194968
(1S,4R,6S,7S)-tricyclo[5.3.1.02,6]undec-2-en-4-ol
CID 124525528
N,N-dimethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 42940625
(1S,4S)-3-methylbicyclo[2.2.1]heptan-2-one
CID 131111268
(6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-2-one
CID 90023713

Frequently Asked Questions

What is the IUPAC name of 7-hydroxybicyclo[3.2.1]octan-6-one?
The IUPAC name of 7-hydroxybicyclo[3.2.1]octan-6-one (CID 15203399) is 7-hydroxybicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 7-hydroxybicyclo[3.2.1]octan-6-one?
The canonical SMILES for 7-hydroxybicyclo[3.2.1]octan-6-one is O=C1C2CCCC(C2)C1O.
What is the InChIKey of 7-hydroxybicyclo[3.2.1]octan-6-one?
The InChIKey is MXRMXXGXFJHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-5-2-1-3-6(4-5)8(7)10/h5-7,9H,1-4H2.
What are the key properties of 7-hydroxybicyclo[3.2.1]octan-6-one?
7-hydroxybicyclo[3.2.1]octan-6-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 7-hydroxybicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 15203399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).