7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

C10H12O5 — CID 70213281

IUPAC7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESCC12C=CC(C(C(=O)O)C1C(=O)O)C2O
InChIInChI=1S/C10H12O5/c1-10-3-2-4(7(10)11)5(8(12)13)6(10)9(14)15/h2-7,11H,1H3,(H,12,13)(H,14,15)
InChIKeyJRSDZTAKBGKVGE-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.05
Rot. Bonds2

About 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (PubChem CID 70213281) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
PubChem CID70213281
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESCC12C=CC(C(C(=O)O)C1C(=O)O)C2O
InChIInChI=1S/C10H12O5/c1-10-3-2-4(7(10)11)5(8(12)13)6(10)9(14)15/h2-7,11H,1H3,(H,12,13)(H,14,15)
InChIKeyJRSDZTAKBGKVGE-UHFFFAOYSA-N
XLogP-0.05
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The IUPAC name of 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (CID 70213281) is 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
What is the SMILES notation for 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The canonical SMILES for 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is CC12C=CC(C(C(=O)O)C1C(=O)O)C2O.
What is the InChIKey of 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The InChIKey is JRSDZTAKBGKVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-10-3-2-4(7(10)11)5(8(12)13)6(10)9(14)15/h2-7,11H,1H3,(H,12,13)(H,14,15).
What are the key properties of 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 70213281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).