bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid

C15H20O2 — CID 67714541

IUPACbicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESC1=CC2CCC1C2.O=C(O)C12C=CC(CC1)C2
InChIInChI=1S/C8H10O2.C7H10/c9-7(10)8-3-1-6(5-8)2-4-8;1-2-7-4-3-6(1)5-7/h1,3,6H,2,4-5H2,(H,9,10);1-2,6-7H,3-5H2
InChIKeyYCFKGFLNKRUEKL-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.40
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid

bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid (PubChem CID 67714541) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
PubChem CID67714541
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namebicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESC1=CC2CCC1C2.O=C(O)C12C=CC(CC1)C2
InChIInChI=1S/C8H10O2.C7H10/c9-7(10)8-3-1-6(5-8)2-4-8;1-2-7-4-3-6(1)5-7/h1,3,6H,2,4-5H2,(H,9,10);1-2,6-7H,3-5H2
InChIKeyYCFKGFLNKRUEKL-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.40
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[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid (CID 67714541) is bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid is C1=CC2CCC1C2.O=C(O)C12C=CC(CC1)C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The InChIKey is YCFKGFLNKRUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C7H10/c9-7(10)8-3-1-6(5-8)2-4-8;1-2-7-4-3-6(1)5-7/h1,3,6H,2,4-5H2,(H,9,10);1-2,6-7H,3-5H2.
What are the key properties of bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;bicyclo[2.2.1]hept-2-ene-1-carboxylic acid is sourced from PubChem (CID 67714541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).