bicyclo[3.2.1]oct-2-ene-6-carboxylic acid

C9H12O2 — CID 45084765

IUPACbicyclo[3.2.1]oct-2-ene-6-carboxylic acid
SMILESO=C(O)C1CC2C=CCC1C2
InChIInChI=1S/C9H12O2/c10-9(11)8-5-6-2-1-3-7(8)4-6/h1-2,6-8H,3-5H2,(H,10,11)
InChIKeyCRFWFHAKMUZRKI-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.67
Rot. Bonds1

About bicyclo[3.2.1]oct-2-ene-6-carboxylic acid

bicyclo[3.2.1]oct-2-ene-6-carboxylic acid (PubChem CID 45084765) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is bicyclo[3.2.1]oct-2-ene-6-carboxylic acid.

Molecular Properties

Compound Namebicyclo[3.2.1]oct-2-ene-6-carboxylic acid
PubChem CID45084765
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Namebicyclo[3.2.1]oct-2-ene-6-carboxylic acid
SMILESO=C(O)C1CC2C=CCC1C2
InChIInChI=1S/C9H12O2/c10-9(11)8-5-6-2-1-3-7(8)4-6/h1-2,6-8H,3-5H2,(H,10,11)
InChIKeyCRFWFHAKMUZRKI-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]oct-2-ene-6-carboxylic acid?
The IUPAC name of bicyclo[3.2.1]oct-2-ene-6-carboxylic acid (CID 45084765) is bicyclo[3.2.1]oct-2-ene-6-carboxylic acid.
What is the SMILES notation for bicyclo[3.2.1]oct-2-ene-6-carboxylic acid?
The canonical SMILES for bicyclo[3.2.1]oct-2-ene-6-carboxylic acid is O=C(O)C1CC2C=CCC1C2.
What is the InChIKey of bicyclo[3.2.1]oct-2-ene-6-carboxylic acid?
The InChIKey is CRFWFHAKMUZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(11)8-5-6-2-1-3-7(8)4-6/h1-2,6-8H,3-5H2,(H,10,11).
What are the key properties of bicyclo[3.2.1]oct-2-ene-6-carboxylic acid?
bicyclo[3.2.1]oct-2-ene-6-carboxylic acid has a molecular weight of 152.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]oct-2-ene-6-carboxylic acid is sourced from PubChem (CID 45084765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).