(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol

C7H12O3 — CID 169042075

IUPAC(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol
SMILESOC1C2CC[C@@H]1C(O)[C@@H]2O
InChIInChI=1S/C7H12O3/c8-5-3-1-2-4(5)7(10)6(3)9/h3-10H,1-2H2/t3-,4?,5?,6?,7+/m0/s1
InChIKeyLVKYTNZBNWTBLG-DOWYKABASA-N
MW144.17 g/mol
LogP-0.89
Rot. Bonds

About (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol

(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol (PubChem CID 169042075) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol.

Molecular Properties

Compound Name(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol
PubChem CID169042075
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol
SMILESOC1C2CC[C@@H]1C(O)[C@@H]2O
InChIInChI=1S/C7H12O3/c8-5-3-1-2-4(5)7(10)6(3)9/h3-10H,1-2H2/t3-,4?,5?,6?,7+/m0/s1
InChIKeyLVKYTNZBNWTBLG-DOWYKABASA-N
XLogP-0.89
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol?
The IUPAC name of (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol (CID 169042075) is (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol.
What is the SMILES notation for (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol?
The canonical SMILES for (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol is OC1C2CC[C@@H]1C(O)[C@@H]2O.
What is the InChIKey of (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol?
The InChIKey is LVKYTNZBNWTBLG-DOWYKABASA-N. The full InChI is InChI=1S/C7H12O3/c8-5-3-1-2-4(5)7(10)6(3)9/h3-10H,1-2H2/t3-,4?,5?,6?,7+/m0/s1.
What are the key properties of (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol?
(1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol has a molecular weight of 144.17 g/mol, XLogP of -0.89, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-bicyclo[2.2.1]heptane-2,3,7-triol is sourced from PubChem (CID 169042075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).