(3S,4R)-4-pyrrolidin-1-yloxolan-3-ol

C8H15NO2 — CID 55274153

IUPAC(3S,4R)-4-pyrrolidin-1-yloxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C8H15NO2/c10-8-6-11-5-7(8)9-3-1-2-4-9/h7-8,10H,1-6H2/t7-,8-/m1/s1
InChIKeyDDNOMPVVYITSSN-HTQZYQBOSA-N
MW157.21 g/mol
LogP-0.16
Rot. Bonds1

About (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol

(3S,4R)-4-pyrrolidin-1-yloxolan-3-ol (PubChem CID 55274153) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-pyrrolidin-1-yloxolan-3-ol
PubChem CID55274153
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3S,4R)-4-pyrrolidin-1-yloxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C8H15NO2/c10-8-6-11-5-7(8)9-3-1-2-4-9/h7-8,10H,1-6H2/t7-,8-/m1/s1
InChIKeyDDNOMPVVYITSSN-HTQZYQBOSA-N
XLogP-0.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol?
The IUPAC name of (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol (CID 55274153) is (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol?
The canonical SMILES for (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol is O[C@@H]1COC[C@H]1N1CCCC1.
What is the InChIKey of (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol?
The InChIKey is DDNOMPVVYITSSN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8-6-11-5-7(8)9-3-1-2-4-9/h7-8,10H,1-6H2/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol?
(3S,4R)-4-pyrrolidin-1-yloxolan-3-ol has a molecular weight of 157.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-pyrrolidin-1-yloxolan-3-ol is sourced from PubChem (CID 55274153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).