3-(1-propoxypropoxy)pyrrolidine

C10H21NO2 — CID 89084771

IUPAC3-(1-propoxypropoxy)pyrrolidine
SMILESCCCOC(CC)OC1CCNC1
InChIInChI=1S/C10H21NO2/c1-3-7-12-10(4-2)13-9-5-6-11-8-9/h9-11H,3-8H2,1-2H3
InChIKeySYSHXNWZEBYGEV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About 3-(1-propoxypropoxy)pyrrolidine

3-(1-propoxypropoxy)pyrrolidine (PubChem CID 89084771) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(1-propoxypropoxy)pyrrolidine.

Molecular Properties

Compound Name3-(1-propoxypropoxy)pyrrolidine
PubChem CID89084771
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(1-propoxypropoxy)pyrrolidine
SMILESCCCOC(CC)OC1CCNC1
InChIInChI=1S/C10H21NO2/c1-3-7-12-10(4-2)13-9-5-6-11-8-9/h9-11H,3-8H2,1-2H3
InChIKeySYSHXNWZEBYGEV-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 3-(1-propoxypropoxy)pyrrolidine?
The IUPAC name of 3-(1-propoxypropoxy)pyrrolidine (CID 89084771) is 3-(1-propoxypropoxy)pyrrolidine.
What is the SMILES notation for 3-(1-propoxypropoxy)pyrrolidine?
The canonical SMILES for 3-(1-propoxypropoxy)pyrrolidine is CCCOC(CC)OC1CCNC1.
What is the InChIKey of 3-(1-propoxypropoxy)pyrrolidine?
The InChIKey is SYSHXNWZEBYGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-7-12-10(4-2)13-9-5-6-11-8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(1-propoxypropoxy)pyrrolidine?
3-(1-propoxypropoxy)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propoxypropoxy)pyrrolidine is sourced from PubChem (CID 89084771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).