1-(4-naphthalen-1-yloxybutyl)pyrrolidine

C18H23NO — CID 2237947

IUPAC1-(4-naphthalen-1-yloxybutyl)pyrrolidine
SMILESc1ccc2c(OCCCCN3CCCC3)cccc2c1
InChIInChI=1S/C18H23NO/c1-2-10-17-16(8-1)9-7-11-18(17)20-15-6-5-14-19-12-3-4-13-19/h1-2,7-11H,3-6,12-15H2
InChIKeyGAUZOGMZSRGFOV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds6

About 1-(4-naphthalen-1-yloxybutyl)pyrrolidine

1-(4-naphthalen-1-yloxybutyl)pyrrolidine (PubChem CID 2237947) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yloxybutyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-naphthalen-1-yloxybutyl)pyrrolidine
PubChem CID2237947
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(4-naphthalen-1-yloxybutyl)pyrrolidine
SMILESc1ccc2c(OCCCCN3CCCC3)cccc2c1
InChIInChI=1S/C18H23NO/c1-2-10-17-16(8-1)9-7-11-18(17)20-15-6-5-14-19-12-3-4-13-19/h1-2,7-11H,3-6,12-15H2
InChIKeyGAUZOGMZSRGFOV-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
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-(4-naphthalen-1-yloxybutyl)pyrrolidine?
The IUPAC name of 1-(4-naphthalen-1-yloxybutyl)pyrrolidine (CID 2237947) is 1-(4-naphthalen-1-yloxybutyl)pyrrolidine.
What is the SMILES notation for 1-(4-naphthalen-1-yloxybutyl)pyrrolidine?
The canonical SMILES for 1-(4-naphthalen-1-yloxybutyl)pyrrolidine is c1ccc2c(OCCCCN3CCCC3)cccc2c1.
What is the InChIKey of 1-(4-naphthalen-1-yloxybutyl)pyrrolidine?
The InChIKey is GAUZOGMZSRGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-2-10-17-16(8-1)9-7-11-18(17)20-15-6-5-14-19-12-3-4-13-19/h1-2,7-11H,3-6,12-15H2.
What are the key properties of 1-(4-naphthalen-1-yloxybutyl)pyrrolidine?
1-(4-naphthalen-1-yloxybutyl)pyrrolidine has a molecular weight of 269.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yloxybutyl)pyrrolidine is sourced from PubChem (CID 2237947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).