3-methoxy-3-propylpyrrolidine

C8H17NO — CID 83815196

IUPAC3-methoxy-3-propylpyrrolidine
SMILESCCCC1(OC)CCNC1
InChIInChI=1S/C8H17NO/c1-3-4-8(10-2)5-6-9-7-8/h9H,3-7H2,1-2H3
InChIKeyURDATSWLLJGMRU-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds3

About 3-methoxy-3-propylpyrrolidine

3-methoxy-3-propylpyrrolidine (PubChem CID 83815196) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-methoxy-3-propylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-3-propylpyrrolidine
PubChem CID83815196
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-methoxy-3-propylpyrrolidine
SMILESCCCC1(OC)CCNC1
InChIInChI=1S/C8H17NO/c1-3-4-8(10-2)5-6-9-7-8/h9H,3-7H2,1-2H3
InChIKeyURDATSWLLJGMRU-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-propylpyrrolidine?
The IUPAC name of 3-methoxy-3-propylpyrrolidine (CID 83815196) is 3-methoxy-3-propylpyrrolidine.
What is the SMILES notation for 3-methoxy-3-propylpyrrolidine?
The canonical SMILES for 3-methoxy-3-propylpyrrolidine is CCCC1(OC)CCNC1.
What is the InChIKey of 3-methoxy-3-propylpyrrolidine?
The InChIKey is URDATSWLLJGMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-8(10-2)5-6-9-7-8/h9H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-3-propylpyrrolidine?
3-methoxy-3-propylpyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-propylpyrrolidine is sourced from PubChem (CID 83815196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).