7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

C9H10O5 — CID 20677737

IUPAC7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESO=C(O)C1C2C=CC(C2O)C1C(=O)O
InChIInChI=1S/C9H10O5/c10-7-3-1-2-4(7)6(9(13)14)5(3)8(11)12/h1-7,10H,(H,11,12)(H,13,14)
InChIKeyGTEOJCGRHNHQRE-UHFFFAOYSA-N
MW198.17 g/mol
LogP-0.44
Rot. Bonds2

About 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (PubChem CID 20677737) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
PubChem CID20677737
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
SMILESO=C(O)C1C2C=CC(C2O)C1C(=O)O
InChIInChI=1S/C9H10O5/c10-7-3-1-2-4(7)6(9(13)14)5(3)8(11)12/h1-7,10H,(H,11,12)(H,13,14)
InChIKeyGTEOJCGRHNHQRE-UHFFFAOYSA-N
XLogP-0.44
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,3S,4S)-bicyclo[2.2.0]hex-5-ene-2,3-dicarboxylic acid
CID 98163276
(1R,4R,6S,9S)-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene-5,12-dicarboxylic acid
CID 98164101
8-(8-carboxytricyclo[4.2.2.02,5]deca-3,9-diene-7-carbonyl)oxycarbonyltricyclo[4.2.2.02,5]deca-3,9-diene-7-carboxylic acid
CID 21139698
(1S,4R,5S,6R,7R,8R,9R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodec-11-ene-5,6-dicarboxylic acid
CID 98556567
3-(3-carboxy-7-methylbicyclo[2.2.1]hept-5-ene-2-carbonyl)oxycarbonyl-7-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 118573541
bicyclo[3.2.2]non-8-ene-2,3,6,7-tetracarboxylic acid
CID 90218986
(5S)-bicyclo[3.1.0]hex-2-ene-6-carboxylic acid
CID 138580530
(1S,2R,3S,4R,7R)-3-methoxycarbonyl-7-trimethylsilylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 10659550
3-iodo-6-methylbicyclo[2.2.2]oct-7-ene-2,5-dicarboxylic acid
CID 167151266
(2R,3R)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid
CID 89358150
4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
CID 171036181
6-(1-hydroxypropan-2-ylcarbamoyl)bicyclo[2.2.2]oct-7-ene-2,3,5-tricarboxylic acid
CID 142632198

Frequently Asked Questions

What is the IUPAC name of 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The IUPAC name of 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (CID 20677737) is 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid.
What is the SMILES notation for 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The canonical SMILES for 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is O=C(O)C1C2C=CC(C2O)C1C(=O)O.
What is the InChIKey of 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
The InChIKey is GTEOJCGRHNHQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c10-7-3-1-2-4(7)6(9(13)14)5(3)8(11)12/h1-7,10H,(H,11,12)(H,13,14).
What are the key properties of 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid?
7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid has a molecular weight of 198.17 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxybicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is sourced from PubChem (CID 20677737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).