bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium

C8H10O2Zr — CID 87662542

IUPACbicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium
SMILESO=C(O)C1CC2C=CC1C2.[Zr]
InChIInChI=1S/C8H10O2.Zr/c9-8(10)7-4-5-1-2-6(7)3-5;/h1-2,5-7H,3-4H2,(H,9,10);
InChIKeyJIAZYVOCEQETAC-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.28
Rot. Bonds1

About bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium (PubChem CID 87662542) has the molecular formula C8H10O2Zr and a molecular weight of 229.39 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium
PubChem CID87662542
Molecular FormulaC8H10O2Zr
Molecular Weight229.39 g/mol
Exact Mass227.97
IUPAC Namebicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium
SMILESO=C(O)C1CC2C=CC1C2.[Zr]
InChIInChI=1S/C8H10O2.Zr/c9-8(10)7-4-5-1-2-6(7)3-5;/h1-2,5-7H,3-4H2,(H,9,10);
InChIKeyJIAZYVOCEQETAC-UHFFFAOYSA-N
XLogP1.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 44889483
bicyclo[2.2.1]hept-5-ene-2-carbothioic S-acid
CID 139905426
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
silver bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 121435616
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;2-bicyclo[2.2.1]hept-5-enyl-[4,4-bis(hydroxymethyl)piperidin-1-yl]methanone
CID 158177900
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;4-methylbenzenesulfonic acid
CID 160907312
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-oxoacetaldehyde
CID 163214887
3-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-2-enoic acid
CID 70256945
[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-phenylmethanone
CID 98066243
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpropan-1-one
CID 102086343
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium?
The IUPAC name of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium (CID 87662542) is bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium.
What is the SMILES notation for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium?
The canonical SMILES for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium is O=C(O)C1CC2C=CC1C2.[Zr].
What is the InChIKey of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium?
The InChIKey is JIAZYVOCEQETAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.Zr/c9-8(10)7-4-5-1-2-6(7)3-5;/h1-2,5-7H,3-4H2,(H,9,10);.
What are the key properties of bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium?
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium has a molecular weight of 229.39 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;zirconium is sourced from PubChem (CID 87662542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).