1-[2-(2-ethenylphenoxy)propyl]pyrrolidine

C15H21NO — CID 123514268

IUPAC1-[2-(2-ethenylphenoxy)propyl]pyrrolidine
SMILESC=Cc1ccccc1OC(C)CN1CCCC1
InChIInChI=1S/C15H21NO/c1-3-14-8-4-5-9-15(14)17-13(2)12-16-10-6-7-11-16/h3-5,8-9,13H,1,6-7,10-12H2,2H3
InChIKeyFWHNFURAWXLYKJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine

1-[2-(2-ethenylphenoxy)propyl]pyrrolidine (PubChem CID 123514268) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-ethenylphenoxy)propyl]pyrrolidine
PubChem CID123514268
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-(2-ethenylphenoxy)propyl]pyrrolidine
SMILESC=Cc1ccccc1OC(C)CN1CCCC1
InChIInChI=1S/C15H21NO/c1-3-14-8-4-5-9-15(14)17-13(2)12-16-10-6-7-11-16/h3-5,8-9,13H,1,6-7,10-12H2,2H3
InChIKeyFWHNFURAWXLYKJ-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethenylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 10466963
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831
1-[1-(2-ethenylphenoxy)ethyl]piperidin-2-one
CID 70232345
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
1-ethenyl-2-(2-methylpropoxy)benzene
CID 22475776
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-ethenyl-2-[1-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 139750637
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine (CID 123514268) is 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine is C=Cc1ccccc1OC(C)CN1CCCC1.
What is the InChIKey of 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine?
The InChIKey is FWHNFURAWXLYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-14-8-4-5-9-15(14)17-13(2)12-16-10-6-7-11-16/h3-5,8-9,13H,1,6-7,10-12H2,2H3.
What are the key properties of 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine?
1-[2-(2-ethenylphenoxy)propyl]pyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethenylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 123514268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).