bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid

C11H14O4 — CID 141156207

IUPACbicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid
SMILESO=C(O)C1=CCC2CC(C(=O)O)CC1C2
InChIInChI=1S/C11H14O4/c12-10(13)8-4-6-1-2-9(11(14)15)7(3-6)5-8/h2,6-8H,1,3-5H2,(H,12,13)(H,14,15)
InChIKeyDJROEYBIVIJNBH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.52
Rot. Bonds2

About bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid

bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid (PubChem CID 141156207) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid.

Molecular Properties

Compound Namebicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid
PubChem CID141156207
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namebicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid
SMILESO=C(O)C1=CCC2CC(C(=O)O)CC1C2
InChIInChI=1S/C11H14O4/c12-10(13)8-4-6-1-2-9(11(14)15)7(3-6)5-8/h2,6-8H,1,3-5H2,(H,12,13)(H,14,15)
InChIKeyDJROEYBIVIJNBH-UHFFFAOYSA-N
XLogP1.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[4.3.1]dec-3-ene-8-carboxylic acid
CID 123500272
2,3,3a,4-tetrahydro-1H-indene-2-carboxylic acid
CID 141380689
2,3,3a,4,5,6-hexahydro-1H-indene-5-carboxylic acid
CID 23008857
(4R,6R)-6-hydroxy-4-methylcyclohexene-1-carboxylic acid
CID 45116545
(1S,5S)-9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CID 98124662
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
6-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 141208605
4-iodocyclohex-3-ene-1-carboxylic acid
CID 126594059
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
(3S,5R)-5-phenylpiperidine-3-carboxylic acid
CID 96581531
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid?
The IUPAC name of bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid (CID 141156207) is bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid.
What is the SMILES notation for bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid?
The canonical SMILES for bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid is O=C(O)C1=CCC2CC(C(=O)O)CC1C2.
What is the InChIKey of bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid?
The InChIKey is DJROEYBIVIJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-10(13)8-4-6-1-2-9(11(14)15)7(3-6)5-8/h2,6-8H,1,3-5H2,(H,12,13)(H,14,15).
What are the key properties of bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid?
bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.3.1]non-2-ene-2,7-dicarboxylic acid is sourced from PubChem (CID 141156207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).