bicyclo[2.2.1]heptane-2-carboxylic acid;gold

C8H12AuO2 — CID 175291828

IUPACbicyclo[2.2.1]heptane-2-carboxylic acid;gold
SMILESO=C(O)C1CC2CCC1C2.[Au]
InChIInChI=1S/C8H12O2.Au/c9-8(10)7-4-5-1-2-6(7)3-5;/h5-7H,1-4H2,(H,9,10);
InChIKeyDDXYSDGGZUGBPW-UHFFFAOYSA-N
MW337.15 g/mol
LogP1.50
Rot. Bonds1

About bicyclo[2.2.1]heptane-2-carboxylic acid;gold

bicyclo[2.2.1]heptane-2-carboxylic acid;gold (PubChem CID 175291828) has the molecular formula C8H12AuO2 and a molecular weight of 337.15 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carboxylic acid;gold.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2-carboxylic acid;gold
PubChem CID175291828
Molecular FormulaC8H12AuO2
Molecular Weight337.15 g/mol
Exact Mass337.05
IUPAC Namebicyclo[2.2.1]heptane-2-carboxylic acid;gold
SMILESO=C(O)C1CC2CCC1C2.[Au]
InChIInChI=1S/C8H12O2.Au/c9-8(10)7-4-5-1-2-6(7)3-5;/h5-7H,1-4H2,(H,9,10);
InChIKeyDDXYSDGGZUGBPW-UHFFFAOYSA-N
XLogP1.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
bicyclo[2.2.1]heptane-2-carboxylic acid;3-methylpentan-2-one
CID 90850215
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
(1S,2R,4S)-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 100572588
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbohydrazide
CID 6993760
1-(2-bicyclo[2.2.1]heptanyl)-2,2-difluoroethanone
CID 14435685
ethane;methyl bicyclo[2.2.1]heptane-2-carboxylate
CID 90952196
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carboxylic acid;gold?
The IUPAC name of bicyclo[2.2.1]heptane-2-carboxylic acid;gold (CID 175291828) is bicyclo[2.2.1]heptane-2-carboxylic acid;gold.
What is the SMILES notation for bicyclo[2.2.1]heptane-2-carboxylic acid;gold?
The canonical SMILES for bicyclo[2.2.1]heptane-2-carboxylic acid;gold is O=C(O)C1CC2CCC1C2.[Au].
What is the InChIKey of bicyclo[2.2.1]heptane-2-carboxylic acid;gold?
The InChIKey is DDXYSDGGZUGBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.Au/c9-8(10)7-4-5-1-2-6(7)3-5;/h5-7H,1-4H2,(H,9,10);.
What are the key properties of bicyclo[2.2.1]heptane-2-carboxylic acid;gold?
bicyclo[2.2.1]heptane-2-carboxylic acid;gold has a molecular weight of 337.15 g/mol, XLogP of 1.50, 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]heptane-2-carboxylic acid;gold is sourced from PubChem (CID 175291828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).