[1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol

C10H21NO2 — CID 24275453

IUPAC[1-(3-ethoxypropyl)pyrrolidin-3-yl]methanol
SMILESCCOCCCN1CCC(C1)CO
InChIInChI=1S/C10H21NO2/c1-2-13-7-3-5-11-6-4-10(8-11)9-12/h10,12H,2-9H2,1H3
InChIKeyOXTTWUFIJVJMCN-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.50
Rot. Bonds6

About [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol

[1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol (PubChem CID 24275453) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [1-(3-ethoxypropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol
PubChem CID24275453
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[1-(3-ethoxypropyl)pyrrolidin-3-yl]methanol
SMILESCCOCCCN1CCC(C1)CO
InChIInChI=1S/C10H21NO2/c1-2-13-7-3-5-11-6-4-10(8-11)9-12/h10,12H,2-9H2,1H3
InChIKeyOXTTWUFIJVJMCN-UHFFFAOYSA-N
XLogP0.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
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 [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol (CID 24275453) is [1-(3-ethoxypropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol is CCOCCCN1CCC(C1)CO.
What is the InChIKey of [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol?
The InChIKey is OXTTWUFIJVJMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-13-7-3-5-11-6-4-10(8-11)9-12/h10,12H,2-9H2,1H3.
What are the key properties of [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol?
[1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 24275453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).