1-(3-phenoxypropyl)pyrrolidine

C13H19NO — CID 2057310

IUPAC1-(3-phenoxypropyl)pyrrolidine
SMILESc1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C13H19NO/c1-2-7-13(8-3-1)15-12-6-11-14-9-4-5-10-14/h1-3,7-8H,4-6,9-12H2
InChIKeyDIERHWIKORHTHF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-phenoxypropyl)pyrrolidine

1-(3-phenoxypropyl)pyrrolidine (PubChem CID 2057310) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)pyrrolidine
PubChem CID2057310
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-phenoxypropyl)pyrrolidine
SMILESc1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C13H19NO/c1-2-7-13(8-3-1)15-12-6-11-14-9-4-5-10-14/h1-3,7-8H,4-6,9-12H2
InChIKeyDIERHWIKORHTHF-UHFFFAOYSA-N
XLogP2.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)pyrrolidine?
The IUPAC name of 1-(3-phenoxypropyl)pyrrolidine (CID 2057310) is 1-(3-phenoxypropyl)pyrrolidine.
What is the SMILES notation for 1-(3-phenoxypropyl)pyrrolidine?
The canonical SMILES for 1-(3-phenoxypropyl)pyrrolidine is c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)pyrrolidine?
The InChIKey is DIERHWIKORHTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-7-13(8-3-1)15-12-6-11-14-9-4-5-10-14/h1-3,7-8H,4-6,9-12H2.
What are the key properties of 1-(3-phenoxypropyl)pyrrolidine?
1-(3-phenoxypropyl)pyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)pyrrolidine is sourced from PubChem (CID 2057310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).