bicyclo[3.2.2]nonane-1-carboxylic acid

C10H16O2 — CID 12757493

IUPACbicyclo[3.2.2]nonane-1-carboxylic acid
SMILESO=C(O)C12CCCC(CC1)CC2
InChIInChI=1S/C10H16O2/c11-9(12)10-5-1-2-8(3-6-10)4-7-10/h8H,1-7H2,(H,11,12)
InChIKeyLRHMIHFOCOIRAS-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.43
Rot. Bonds1

About bicyclo[3.2.2]nonane-1-carboxylic acid

bicyclo[3.2.2]nonane-1-carboxylic acid (PubChem CID 12757493) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is bicyclo[3.2.2]nonane-1-carboxylic acid.

Molecular Properties

Compound Namebicyclo[3.2.2]nonane-1-carboxylic acid
PubChem CID12757493
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namebicyclo[3.2.2]nonane-1-carboxylic acid
SMILESO=C(O)C12CCCC(CC1)CC2
InChIInChI=1S/C10H16O2/c11-9(12)10-5-1-2-8(3-6-10)4-7-10/h8H,1-7H2,(H,11,12)
InChIKeyLRHMIHFOCOIRAS-UHFFFAOYSA-N
XLogP2.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-hydroxy-3-methylbicyclo[3.3.1]nonane-1-carboxylic acid
CID 130311004
(1R,3S,5S)-3-methylbicyclo[3.3.1]nonane-1,3-dicarboxylic acid
CID 90772732
bicyclo[2.2.2]octane-1-carbonyl fluoride
CID 45081305
6-oxobicyclo[3.2.1]octane-1-carboxylic acid
CID 12504898
1-(1-bicyclo[2.2.1]heptanyl)prop-2-en-1-one
CID 139998340
bicyclo[2.2.1]heptane-1-carbonyl bromide
CID 21489193
1-bicyclo[3.3.2]decanyl acetate
CID 14119621
1-(1-bicyclo[2.2.2]octanyl)-3-methylbutan-1-one
CID 159589703
1-bicyclo[3.3.2]decanyl prop-2-enoate
CID 164546503
5-bromobicyclo[3.3.1]nonane-1-carboxylic acid
CID 3119469
(2S)-2-aminocyclopentane-1,1-dicarboxylic acid
CID 67575555
1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.2]nonane-1-carboxylic acid?
The IUPAC name of bicyclo[3.2.2]nonane-1-carboxylic acid (CID 12757493) is bicyclo[3.2.2]nonane-1-carboxylic acid.
What is the SMILES notation for bicyclo[3.2.2]nonane-1-carboxylic acid?
The canonical SMILES for bicyclo[3.2.2]nonane-1-carboxylic acid is O=C(O)C12CCCC(CC1)CC2.
What is the InChIKey of bicyclo[3.2.2]nonane-1-carboxylic acid?
The InChIKey is LRHMIHFOCOIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9(12)10-5-1-2-8(3-6-10)4-7-10/h8H,1-7H2,(H,11,12).
What are the key properties of bicyclo[3.2.2]nonane-1-carboxylic acid?
bicyclo[3.2.2]nonane-1-carboxylic acid has a molecular weight of 168.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.2]nonane-1-carboxylic acid is sourced from PubChem (CID 12757493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).