(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one

C10H14O — CID 23258337

IUPAC(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one
SMILESO=C1[C@H]2CC[C@]3(CCC[C@@H]13)C2
InChIInChI=1S/C10H14O/c11-9-7-3-5-10(6-7)4-1-2-8(9)10/h7-8H,1-6H2/t7-,8-,10+/m0/s1
InChIKeyJDRPXNZCHOKGFN-OYNCUSHFSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds

About (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one

(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one (PubChem CID 23258337) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one.

Molecular Properties

Compound Name(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one
PubChem CID23258337
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one
SMILESO=C1[C@H]2CC[C@]3(CCC[C@@H]13)C2
InChIInChI=1S/C10H14O/c11-9-7-3-5-10(6-7)4-1-2-8(9)10/h7-8H,1-6H2/t7-,8-,10+/m0/s1
InChIKeyJDRPXNZCHOKGFN-OYNCUSHFSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tricyclo[6.3.1.01,6]dodecan-9-one
CID 130036870
9,9-dimethylbicyclo[4.3.1]decane-3,10-dione
CID 100914264
tricyclo[3.3.1.01,4]nonane
CID 90787588
(1S,4R)-spiro[bicyclo[2.2.1]heptane-6,1'-cyclobutane]-2-one
CID 10630681
1,8-dimethyl-2-azaspiro[4.6]undecan-3-one
CID 66107618
(1R,2R,4S)-2-methoxy-2-methylbicyclo[2.2.1]heptan-7-one
CID 10931654
spiro[4.5]decan-4-ylsilane
CID 150882370
(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
CID 1426479
(1S,6S)-bicyclo[4.2.1]nonan-9-one
CID 98153778
(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413421
(1S,5S,7R)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
CID 178195285
(1R,5R,7S)-1-hydroxy-7-methoxybicyclo[3.2.0]heptan-6-one
CID 130754981

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one?
The IUPAC name of (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one (CID 23258337) is (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one.
What is the SMILES notation for (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one?
The canonical SMILES for (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one is O=C1[C@H]2CC[C@]3(CCC[C@@H]13)C2.
What is the InChIKey of (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one?
The InChIKey is JDRPXNZCHOKGFN-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H14O/c11-9-7-3-5-10(6-7)4-1-2-8(9)10/h7-8H,1-6H2/t7-,8-,10+/m0/s1.
What are the key properties of (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one?
(1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one has a molecular weight of 150.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-tricyclo[5.2.1.01,5]decan-6-one is sourced from PubChem (CID 23258337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).