1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol

C10H21NO2 — CID 103728740

IUPAC1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
SMILESCCOCCCN1CCC(C)(O)C1
InChIInChI=1S/C10H21NO2/c1-3-13-8-4-6-11-7-5-10(2,12)9-11/h12H,3-9H2,1-2H3
InChIKeyUDHZADXHSSPQHX-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds5

About 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol

1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol (PubChem CID 103728740) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
PubChem CID103728740
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol
SMILESCCOCCCN1CCC(C)(O)C1
InChIInChI=1S/C10H21NO2/c1-3-13-8-4-6-11-7-5-10(2,12)9-11/h12H,3-9H2,1-2H3
InChIKeyUDHZADXHSSPQHX-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
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)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol (CID 103728740) is 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol is CCOCCCN1CCC(C)(O)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol?
The InChIKey is UDHZADXHSSPQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-13-8-4-6-11-7-5-10(2,12)9-11/h12H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol?
1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103728740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).