1-propoxypyrrolidine

C7H15NO — CID 18342685

IUPAC1-propoxypyrrolidine
SMILESCCCON1CCCC1
InChIInChI=1S/C7H15NO/c1-2-7-9-8-5-3-4-6-8/h2-7H2,1H3
InChIKeyYIBJTDKRRWWXBL-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.42
Rot. Bonds3

About 1-propoxypyrrolidine

1-propoxypyrrolidine (PubChem CID 18342685) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-propoxypyrrolidine.

Molecular Properties

Compound Name1-propoxypyrrolidine
PubChem CID18342685
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-propoxypyrrolidine
SMILESCCCON1CCCC1
InChIInChI=1S/C7H15NO/c1-2-7-9-8-5-3-4-6-8/h2-7H2,1H3
InChIKeyYIBJTDKRRWWXBL-UHFFFAOYSA-N
XLogP1.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propoxypyrrolidine?
The IUPAC name of 1-propoxypyrrolidine (CID 18342685) is 1-propoxypyrrolidine.
What is the SMILES notation for 1-propoxypyrrolidine?
The canonical SMILES for 1-propoxypyrrolidine is CCCON1CCCC1.
What is the InChIKey of 1-propoxypyrrolidine?
The InChIKey is YIBJTDKRRWWXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-7-9-8-5-3-4-6-8/h2-7H2,1H3.
What are the key properties of 1-propoxypyrrolidine?
1-propoxypyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxypyrrolidine is sourced from PubChem (CID 18342685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).