1-(4,4-dimethoxybutyl)pyrrolidine

C10H21NO2 — CID 23374598

IUPAC1-(4,4-dimethoxybutyl)pyrrolidine
SMILESCOC(CCCN1CCCC1)OC
InChIInChI=1S/C10H21NO2/c1-12-10(13-2)6-5-9-11-7-3-4-8-11/h10H,3-9H2,1-2H3
InChIKeyZMKFFOVTPXSRGE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.48
Rot. Bonds6

About 1-(4,4-dimethoxybutyl)pyrrolidine

1-(4,4-dimethoxybutyl)pyrrolidine (PubChem CID 23374598) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(4,4-dimethoxybutyl)pyrrolidine.

Molecular Properties

Compound Name1-(4,4-dimethoxybutyl)pyrrolidine
PubChem CID23374598
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(4,4-dimethoxybutyl)pyrrolidine
SMILESCOC(CCCN1CCCC1)OC
InChIInChI=1S/C10H21NO2/c1-12-10(13-2)6-5-9-11-7-3-4-8-11/h10H,3-9H2,1-2H3
InChIKeyZMKFFOVTPXSRGE-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethoxybutyl)pyrrolidine?
The IUPAC name of 1-(4,4-dimethoxybutyl)pyrrolidine (CID 23374598) is 1-(4,4-dimethoxybutyl)pyrrolidine.
What is the SMILES notation for 1-(4,4-dimethoxybutyl)pyrrolidine?
The canonical SMILES for 1-(4,4-dimethoxybutyl)pyrrolidine is COC(CCCN1CCCC1)OC.
What is the InChIKey of 1-(4,4-dimethoxybutyl)pyrrolidine?
The InChIKey is ZMKFFOVTPXSRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-12-10(13-2)6-5-9-11-7-3-4-8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(4,4-dimethoxybutyl)pyrrolidine?
1-(4,4-dimethoxybutyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethoxybutyl)pyrrolidine is sourced from PubChem (CID 23374598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).