1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine

C13H26ClNO — CID 63388248

IUPAC1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine
SMILESCCCCOCCN1CCCC1CCCCl
InChIInChI=1S/C13H26ClNO/c1-2-3-11-16-12-10-15-9-5-7-13(15)6-4-8-14/h13H,2-12H2,1H3
InChIKeyUULHKFGZQAICTL-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.29
Rot. Bonds9

About 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine

1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine (PubChem CID 63388248) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine
PubChem CID63388248
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine
SMILESCCCCOCCN1CCCC1CCCCl
InChIInChI=1S/C13H26ClNO/c1-2-3-11-16-12-10-15-9-5-7-13(15)6-4-8-14/h13H,2-12H2,1H3
InChIKeyUULHKFGZQAICTL-UHFFFAOYSA-N
XLogP3.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine?
The IUPAC name of 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine (CID 63388248) is 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine.
What is the SMILES notation for 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine?
The canonical SMILES for 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine is CCCCOCCN1CCCC1CCCCl.
What is the InChIKey of 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine?
The InChIKey is UULHKFGZQAICTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-2-3-11-16-12-10-15-9-5-7-13(15)6-4-8-14/h13H,2-12H2,1H3.
What are the key properties of 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine?
1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine has a molecular weight of 247.81 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-(3-chloropropyl)pyrrolidine is sourced from PubChem (CID 63388248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).