2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone

C13H20O2 — CID 130494486

IUPAC2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone
SMILESO=C(C1CC2CCC1C2)C1(O)CCCC1
InChIInChI=1S/C13H20O2/c14-12(13(15)5-1-2-6-13)11-8-9-3-4-10(11)7-9/h9-11,15H,1-8H2
InChIKeyKDQONPJGJAUEDF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.30
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone

2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone (PubChem CID 130494486) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone
PubChem CID130494486
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone
SMILESO=C(C1CC2CCC1C2)C1(O)CCCC1
InChIInChI=1S/C13H20O2/c14-12(13(15)5-1-2-6-13)11-8-9-3-4-10(11)7-9/h9-11,15H,1-8H2
InChIKeyKDQONPJGJAUEDF-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
N-[(1-hydroxycyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64867434
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
ethane;(1-ethylcyclopentyl) bicyclo[2.2.1]heptane-2-carboxylate
CID 91327954
N-(1-carbamothioylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61366521
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
CID 14435685

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone (CID 130494486) is 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone is O=C(C1CC2CCC1C2)C1(O)CCCC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone?
The InChIKey is KDQONPJGJAUEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-12(13(15)5-1-2-6-13)11-8-9-3-4-10(11)7-9/h9-11,15H,1-8H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone?
2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 130494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).