4-hexoxypyrrolidin-3-ol

C10H21NO2 — CID 63701868

IUPAC4-hexoxypyrrolidin-3-ol
SMILESCCCCCCOC1CNCC1O
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-6-13-10-8-11-7-9(10)12/h9-12H,2-8H2,1H3
InChIKeyBQJZUNDTWIRWIN-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds6

About 4-hexoxypyrrolidin-3-ol

4-hexoxypyrrolidin-3-ol (PubChem CID 63701868) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-hexoxypyrrolidin-3-ol.

Molecular Properties

Compound Name4-hexoxypyrrolidin-3-ol
PubChem CID63701868
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-hexoxypyrrolidin-3-ol
SMILESCCCCCCOC1CNCC1O
InChIInChI=1S/C10H21NO2/c1-2-3-4-5-6-13-10-8-11-7-9(10)12/h9-12H,2-8H2,1H3
InChIKeyBQJZUNDTWIRWIN-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexoxypyrrolidin-3-ol?
The IUPAC name of 4-hexoxypyrrolidin-3-ol (CID 63701868) is 4-hexoxypyrrolidin-3-ol.
What is the SMILES notation for 4-hexoxypyrrolidin-3-ol?
The canonical SMILES for 4-hexoxypyrrolidin-3-ol is CCCCCCOC1CNCC1O.
What is the InChIKey of 4-hexoxypyrrolidin-3-ol?
The InChIKey is BQJZUNDTWIRWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-4-5-6-13-10-8-11-7-9(10)12/h9-12H,2-8H2,1H3.
What are the key properties of 4-hexoxypyrrolidin-3-ol?
4-hexoxypyrrolidin-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxypyrrolidin-3-ol is sourced from PubChem (CID 63701868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).