3-pyrrolidin-2-yloxan-4-ol

C9H17NO2 — CID 79559823

IUPAC3-pyrrolidin-2-yloxan-4-ol
SMILESOC1CCOCC1C1CCCN1
InChIInChI=1S/C9H17NO2/c11-9-3-5-12-6-7(9)8-2-1-4-10-8/h7-11H,1-6H2
InChIKeyPKKMWSSDRQBNKG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds1

About 3-pyrrolidin-2-yloxan-4-ol

3-pyrrolidin-2-yloxan-4-ol (PubChem CID 79559823) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-pyrrolidin-2-yloxan-4-ol.

Molecular Properties

Compound Name3-pyrrolidin-2-yloxan-4-ol
PubChem CID79559823
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-pyrrolidin-2-yloxan-4-ol
SMILESOC1CCOCC1C1CCCN1
InChIInChI=1S/C9H17NO2/c11-9-3-5-12-6-7(9)8-2-1-4-10-8/h7-11H,1-6H2
InChIKeyPKKMWSSDRQBNKG-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yloxan-4-ol?
The IUPAC name of 3-pyrrolidin-2-yloxan-4-ol (CID 79559823) is 3-pyrrolidin-2-yloxan-4-ol.
What is the SMILES notation for 3-pyrrolidin-2-yloxan-4-ol?
The canonical SMILES for 3-pyrrolidin-2-yloxan-4-ol is OC1CCOCC1C1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-yloxan-4-ol?
The InChIKey is PKKMWSSDRQBNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9-3-5-12-6-7(9)8-2-1-4-10-8/h7-11H,1-6H2.
What are the key properties of 3-pyrrolidin-2-yloxan-4-ol?
3-pyrrolidin-2-yloxan-4-ol has a molecular weight of 171.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yloxan-4-ol is sourced from PubChem (CID 79559823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).