1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium

C16H20NO+ — CID 7446205

IUPAC1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium
SMILESc1ccc2cc(OCC[NH+]3CCCC3)ccc2c1
InChIInChI=1S/C16H19NO/c1-2-6-15-13-16(8-7-14(15)5-1)18-12-11-17-9-3-4-10-17/h1-2,5-8,13H,3-4,9-12H2/p+1
InChIKeyOZXAIWQZLIBDPH-UHFFFAOYSA-O
MW242.34 g/mol
LogP1.90
Rot. Bonds4

About 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium

1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium (PubChem CID 7446205) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium
PubChem CID7446205
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium
SMILESc1ccc2cc(OCC[NH+]3CCCC3)ccc2c1
InChIInChI=1S/C16H19NO/c1-2-6-15-13-16(8-7-14(15)5-1)18-12-11-17-9-3-4-10-17/h1-2,5-8,13H,3-4,9-12H2/p+1
InChIKeyOZXAIWQZLIBDPH-UHFFFAOYSA-O
XLogP1.90
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepan-1-ium
CID 7412859
1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-1-ium
CID 7446273
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CID 42258988
1-[2-(3-methyl-4-nitrophenoxy)ethyl]pyrrolidin-1-ium
CID 7381403
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
1-[2-[2-(3-methylphenoxy)ethoxy]ethyl]azepan-1-ium
CID 2183757
N-naphthalen-2-yl-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259816
2-(9-bromononoxy)naphthalene
CID 105343234
2-(3-phenylpropoxy)naphthalene
CID 13432986
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-ethoxynaphthalene
CID 118978197

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium?
The IUPAC name of 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium (CID 7446205) is 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium?
The canonical SMILES for 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium is c1ccc2cc(OCC[NH+]3CCCC3)ccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium?
The InChIKey is OZXAIWQZLIBDPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19NO/c1-2-6-15-13-16(8-7-14(15)5-1)18-12-11-17-9-3-4-10-17/h1-2,5-8,13H,3-4,9-12H2/p+1.
What are the key properties of 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium?
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium has a molecular weight of 242.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-yloxyethyl)pyrrolidin-1-ium is sourced from PubChem (CID 7446205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).