(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid

C7H8O2 — CID 138580530

IUPAC(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
SMILESO=C(O)C1C2C=CC[C@@H]21
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-6H,3H2,(H,8,9)/t4?,5-,6?/m0/s1
InChIKeyKAUUWVPNBGEFOG-XRVVJQKQSA-N
MW124.14 g/mol
LogP0.89
Rot. Bonds1

About (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid

(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid (PubChem CID 138580530) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid.

Molecular Properties

Compound Name(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
PubChem CID138580530
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
SMILESO=C(O)C1C2C=CC[C@@H]21
InChIInChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-6H,3H2,(H,8,9)/t4?,5-,6?/m0/s1
InChIKeyKAUUWVPNBGEFOG-XRVVJQKQSA-N
XLogP0.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.89
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 (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The IUPAC name of (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid (CID 138580530) is (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid.
What is the SMILES notation for (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The canonical SMILES for (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid is O=C(O)C1C2C=CC[C@@H]21.
What is the InChIKey of (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The InChIKey is KAUUWVPNBGEFOG-XRVVJQKQSA-N. The full InChI is InChI=1S/C7H8O2/c8-7(9)6-4-2-1-3-5(4)6/h1-2,4-6H,3H2,(H,8,9)/t4?,5-,6?/m0/s1.
What are the key properties of (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid has a molecular weight of 124.14 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid is sourced from PubChem (CID 138580530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).