3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid

C10H12O3 — CID 175836658

IUPAC3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)C1CC12C(=O)C1CCC2C1
InChIInChI=1S/C10H12O3/c11-8-5-1-2-6(3-5)10(8)4-7(10)9(12)13/h5-7H,1-4H2,(H,12,13)
InChIKeyOIAFRTMKEHLEEK-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.08
Rot. Bonds1

About 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid

3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid (PubChem CID 175836658) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid.

Molecular Properties

Compound Name3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid
PubChem CID175836658
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid
SMILESO=C(O)C1CC12C(=O)C1CCC2C1
InChIInChI=1S/C10H12O3/c11-8-5-1-2-6(3-5)10(8)4-7(10)9(12)13/h5-7H,1-4H2,(H,12,13)
InChIKeyOIAFRTMKEHLEEK-UHFFFAOYSA-N
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dihydroxybicyclo[2.2.1]heptan-2-one
CID 130030712
(1R,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-one
CID 98049650
(1S)-2,2-dicyclopropylcyclopropane-1-carboxylic acid
CID 7333324
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
(1S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-one
CID 130826859
(1S,3R,3'S,4R)-3'-acetyl-1'-methylspiro[bicyclo[2.2.1]heptane-3,5'-cyclopentene]-2-one
CID 11171999
3-methyl-3-propan-2-ylbicyclo[2.2.1]heptan-2-one
CID 164833317
(1R,2R,4S)-2-methyl-3-oxobicyclo[2.2.1]heptane-2-carbaldehyde
CID 15599975
bicyclo[3.1.0]hexane-1,2-dicarboxylic acid
CID 123996002
(1S,4R)-3-bromo-3-[difluoro(methylsulfanyl)methyl]bicyclo[2.2.1]heptan-2-one
CID 11781090
methyl (1R,2S,4S)-2-benzamido-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 11077030

Frequently Asked Questions

What is the IUPAC name of 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid?
The IUPAC name of 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid (CID 175836658) is 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid.
What is the SMILES notation for 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid?
The canonical SMILES for 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid is O=C(O)C1CC12C(=O)C1CCC2C1.
What is the InChIKey of 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid?
The InChIKey is OIAFRTMKEHLEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-5-1-2-6(3-5)10(8)4-7(10)9(12)13/h5-7H,1-4H2,(H,12,13).
What are the key properties of 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid?
3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid has a molecular weight of 180.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxospiro[bicyclo[2.2.1]heptane-2,2'-cyclopropane]-1'-carboxylic acid is sourced from PubChem (CID 175836658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).