[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol

C11H23NO3 — CID 103415296

IUPAC[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESCOCCOCCCC1(CO)CCCN1
InChIInChI=1S/C11H23NO3/c1-14-8-9-15-7-3-5-11(10-13)4-2-6-12-11/h12-13H,2-10H2,1H3
InChIKeyNRLIDJAJLMJPJZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.54
Rot. Bonds8

About [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol

[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol (PubChem CID 103415296) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol
PubChem CID103415296
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol
SMILESCOCCOCCCC1(CO)CCCN1
InChIInChI=1S/C11H23NO3/c1-14-8-9-15-7-3-5-11(10-13)4-2-6-12-11/h12-13H,2-10H2,1H3
InChIKeyNRLIDJAJLMJPJZ-UHFFFAOYSA-N
XLogP0.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol (CID 103415296) is [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol is COCCOCCCC1(CO)CCCN1.
What is the InChIKey of [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is NRLIDJAJLMJPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-14-8-9-15-7-3-5-11(10-13)4-2-6-12-11/h12-13H,2-10H2,1H3.
What are the key properties of [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol?
[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol has a molecular weight of 217.31 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103415296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).