1-(3,3-dimethoxypropyl)pyrrolidine

C9H19NO2 — CID 22466586

IUPAC1-(3,3-dimethoxypropyl)pyrrolidine
SMILESCOC(CCN1CCCC1)OC
InChIInChI=1S/C9H19NO2/c1-11-9(12-2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3
InChIKeyYUZAAUWDVZTCGA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.09
Rot. Bonds5

About 1-(3,3-dimethoxypropyl)pyrrolidine

1-(3,3-dimethoxypropyl)pyrrolidine (PubChem CID 22466586) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(3,3-dimethoxypropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3-dimethoxypropyl)pyrrolidine
PubChem CID22466586
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(3,3-dimethoxypropyl)pyrrolidine
SMILESCOC(CCN1CCCC1)OC
InChIInChI=1S/C9H19NO2/c1-11-9(12-2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3
InChIKeyYUZAAUWDVZTCGA-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.09
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-(3,3-dimethoxypropyl)pyrrolidine?
The IUPAC name of 1-(3,3-dimethoxypropyl)pyrrolidine (CID 22466586) is 1-(3,3-dimethoxypropyl)pyrrolidine.
What is the SMILES notation for 1-(3,3-dimethoxypropyl)pyrrolidine?
The canonical SMILES for 1-(3,3-dimethoxypropyl)pyrrolidine is COC(CCN1CCCC1)OC.
What is the InChIKey of 1-(3,3-dimethoxypropyl)pyrrolidine?
The InChIKey is YUZAAUWDVZTCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-11-9(12-2)5-8-10-6-3-4-7-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(3,3-dimethoxypropyl)pyrrolidine?
1-(3,3-dimethoxypropyl)pyrrolidine has a molecular weight of 173.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethoxypropyl)pyrrolidine is sourced from PubChem (CID 22466586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).