(4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid

C8H10O2 — CID 69298694

IUPAC(4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESO=C(O)C12C=C[C@H](CC1)C2
InChIInChI=1S/C8H10O2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H,9,10)/t6-,8?/m1/s1
InChIKeyLMJVDYDHTWAXDL-XPJFZRNWSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid

(4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid (PubChem CID 69298694) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
PubChem CID69298694
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESO=C(O)C12C=C[C@H](CC1)C2
InChIInChI=1S/C8H10O2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H,9,10)/t6-,8?/m1/s1
InChIKeyLMJVDYDHTWAXDL-XPJFZRNWSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
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 (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The IUPAC name of (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid (CID 69298694) is (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid.
What is the SMILES notation for (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The canonical SMILES for (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid is O=C(O)C12C=C[C@H](CC1)C2.
What is the InChIKey of (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The InChIKey is LMJVDYDHTWAXDL-XPJFZRNWSA-N. The full InChI is InChI=1S/C8H10O2/c9-7(10)8-3-1-6(5-8)2-4-8/h1,3,6H,2,4-5H2,(H,9,10)/t6-,8?/m1/s1.
What are the key properties of (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
(4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-bicyclo[2.2.1]hept-2-ene-1-carboxylic acid is sourced from PubChem (CID 69298694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).