bicyclo[3.1.0]hexane-1-carboxylic acid

C7H10O2 — CID 12523696

IUPACbicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(O)C12CCCC1C2
InChIInChI=1S/C7H10O2/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H,8,9)
InChIKeyLDJAXCFOBFPUGI-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.26
Rot. Bonds1

About bicyclo[3.1.0]hexane-1-carboxylic acid

bicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 12523696) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID12523696
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Namebicyclo[3.1.0]hexane-1-carboxylic acid
SMILESO=C(O)C12CCCC1C2
InChIInChI=1S/C7H10O2/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H,8,9)
InChIKeyLDJAXCFOBFPUGI-UHFFFAOYSA-N
XLogP1.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of bicyclo[3.1.0]hexane-1-carboxylic acid (CID 12523696) is bicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for bicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for bicyclo[3.1.0]hexane-1-carboxylic acid is O=C(O)C12CCCC1C2.
What is the InChIKey of bicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is LDJAXCFOBFPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6(9)7-3-1-2-5(7)4-7/h5H,1-4H2,(H,8,9).
What are the key properties of bicyclo[3.1.0]hexane-1-carboxylic acid?
bicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 126.16 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 12523696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).