(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid

C7H6O3 — CID 150649700

IUPAC(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid
SMILESO=C(O)C1C2C=CC(=O)[C@H]21
InChIInChI=1S/C7H6O3/c8-4-2-1-3-5(4)6(3)7(9)10/h1-3,5-6H,(H,9,10)/t3?,5-,6?/m0/s1
InChIKeyJBPOZANHTUTRKU-APMLAXFASA-N
MW138.12 g/mol
LogP0.07
Rot. Bonds1

About (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid

(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid (PubChem CID 150649700) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid.

Molecular Properties

Compound Name(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid
PubChem CID150649700
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid
SMILESO=C(O)C1C2C=CC(=O)[C@H]21
InChIInChI=1S/C7H6O3/c8-4-2-1-3-5(4)6(3)7(9)10/h1-3,5-6H,(H,9,10)/t3?,5-,6?/m0/s1
InChIKeyJBPOZANHTUTRKU-APMLAXFASA-N
XLogP0.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The IUPAC name of (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid (CID 150649700) is (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid.
What is the SMILES notation for (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The canonical SMILES for (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid is O=C(O)C1C2C=CC(=O)[C@H]21.
What is the InChIKey of (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The InChIKey is JBPOZANHTUTRKU-APMLAXFASA-N. The full InChI is InChI=1S/C7H6O3/c8-4-2-1-3-5(4)6(3)7(9)10/h1-3,5-6H,(H,9,10)/t3?,5-,6?/m0/s1.
What are the key properties of (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
(5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid has a molecular weight of 138.12 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-oxobicyclo[3.1.0]hex-2-ene-6-carboxylic acid is sourced from PubChem (CID 150649700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).