(3S,4R)-4-anilinooxolan-3-ol

C10H13NO2 — CID 93383619

IUPAC(3S,4R)-4-anilinooxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1ccccc1
InChIInChI=1S/C10H13NO2/c12-10-7-13-6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m1/s1
InChIKeyCRQDZCFZZQNQJD-NXEZZACHSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds2

About (3S,4R)-4-anilinooxolan-3-ol

(3S,4R)-4-anilinooxolan-3-ol (PubChem CID 93383619) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (3S,4R)-4-anilinooxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-anilinooxolan-3-ol
PubChem CID93383619
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(3S,4R)-4-anilinooxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1ccccc1
InChIInChI=1S/C10H13NO2/c12-10-7-13-6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m1/s1
InChIKeyCRQDZCFZZQNQJD-NXEZZACHSA-N
XLogP0.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-anilinooxolan-3-ol?
The IUPAC name of (3S,4R)-4-anilinooxolan-3-ol (CID 93383619) is (3S,4R)-4-anilinooxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-anilinooxolan-3-ol?
The canonical SMILES for (3S,4R)-4-anilinooxolan-3-ol is O[C@@H]1COC[C@H]1Nc1ccccc1.
What is the InChIKey of (3S,4R)-4-anilinooxolan-3-ol?
The InChIKey is CRQDZCFZZQNQJD-NXEZZACHSA-N. The full InChI is InChI=1S/C10H13NO2/c12-10-7-13-6-9(10)11-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-anilinooxolan-3-ol?
(3S,4R)-4-anilinooxolan-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-anilinooxolan-3-ol is sourced from PubChem (CID 93383619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).