tricyclo[3.3.1.02,7]nonane-6-carboxylic acid

C10H14O2 — CID 154853068

IUPACtricyclo[3.3.1.02,7]nonane-6-carboxylic acid
SMILESO=C(O)C1C2CCC3C(C2)CC31
InChIInChI=1S/C10H14O2/c11-10(12)9-5-1-2-7-6(3-5)4-8(7)9/h5-9H,1-4H2,(H,11,12)
InChIKeyXTGSMMSRCUWUEA-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds1

About tricyclo[3.3.1.02,7]nonane-6-carboxylic acid

tricyclo[3.3.1.02,7]nonane-6-carboxylic acid (PubChem CID 154853068) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is tricyclo[3.3.1.02,7]nonane-6-carboxylic acid.

Molecular Properties

Compound Nametricyclo[3.3.1.02,7]nonane-6-carboxylic acid
PubChem CID154853068
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nametricyclo[3.3.1.02,7]nonane-6-carboxylic acid
SMILESO=C(O)C1C2CCC3C(C2)CC31
InChIInChI=1S/C10H14O2/c11-10(12)9-5-1-2-7-6(3-5)4-8(7)9/h5-9H,1-4H2,(H,11,12)
InChIKeyXTGSMMSRCUWUEA-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tricyclo[3.3.1.02,7]nonane-6-carboxylic acid?
The IUPAC name of tricyclo[3.3.1.02,7]nonane-6-carboxylic acid (CID 154853068) is tricyclo[3.3.1.02,7]nonane-6-carboxylic acid.
What is the SMILES notation for tricyclo[3.3.1.02,7]nonane-6-carboxylic acid?
The canonical SMILES for tricyclo[3.3.1.02,7]nonane-6-carboxylic acid is O=C(O)C1C2CCC3C(C2)CC31.
What is the InChIKey of tricyclo[3.3.1.02,7]nonane-6-carboxylic acid?
The InChIKey is XTGSMMSRCUWUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-10(12)9-5-1-2-7-6(3-5)4-8(7)9/h5-9H,1-4H2,(H,11,12).
What are the key properties of tricyclo[3.3.1.02,7]nonane-6-carboxylic acid?
tricyclo[3.3.1.02,7]nonane-6-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.1.02,7]nonane-6-carboxylic acid is sourced from PubChem (CID 154853068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).