(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol

C5H8O2 — CID 101126936

IUPAC(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
SMILESOC1C(O)[C@@H]2C[C@H]12
InChIInChI=1S/C5H8O2/c6-4-2-1-3(2)5(4)7/h2-7H,1H2/t2-,3+,4?,5?
InChIKeyXSMJHCBKSUWULI-BAPWSJISSA-N
MW100.12 g/mol
LogP-0.64
Rot. Bonds

About (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol

(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol (PubChem CID 101126936) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol.

Molecular Properties

Compound Name(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
PubChem CID101126936
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
SMILESOC1C(O)[C@@H]2C[C@H]12
InChIInChI=1S/C5H8O2/c6-4-2-1-3(2)5(4)7/h2-7H,1H2/t2-,3+,4?,5?
InChIKeyXSMJHCBKSUWULI-BAPWSJISSA-N
XLogP-0.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol?
The IUPAC name of (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol (CID 101126936) is (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol.
What is the SMILES notation for (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol?
The canonical SMILES for (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol is OC1C(O)[C@@H]2C[C@H]12.
What is the InChIKey of (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol?
The InChIKey is XSMJHCBKSUWULI-BAPWSJISSA-N. The full InChI is InChI=1S/C5H8O2/c6-4-2-1-3(2)5(4)7/h2-7H,1H2/t2-,3+,4?,5?.
What are the key properties of (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol?
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol has a molecular weight of 100.12 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-bicyclo[2.1.0]pentane-2,3-diol is sourced from PubChem (CID 101126936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).