3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine

C16H23NO2 — CID 167890113

IUPAC3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine
SMILESC=CCc1ccc(OCCC2CCNC2)c(OC)c1
InChIInChI=1S/C16H23NO2/c1-3-4-13-5-6-15(16(11-13)18-2)19-10-8-14-7-9-17-12-14/h3,5-6,11,14,17H,1,4,7-10,12H2,2H3
InChIKeyJAALIYCCAMGOLT-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.80
Rot. Bonds7

About 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine

3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine (PubChem CID 167890113) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine
PubChem CID167890113
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine
SMILESC=CCc1ccc(OCCC2CCNC2)c(OC)c1
InChIInChI=1S/C16H23NO2/c1-3-4-13-5-6-15(16(11-13)18-2)19-10-8-14-7-9-17-12-14/h3,5-6,11,14,17H,1,4,7-10,12H2,2H3
InChIKeyJAALIYCCAMGOLT-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
CID 114796045
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
4-(2-methoxy-4-prop-2-enylphenoxy)piperidine
CID 56830913
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
N-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]cyclopentanamine
CID 2199602
2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530627
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine (CID 167890113) is 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine is C=CCc1ccc(OCCC2CCNC2)c(OC)c1.
What is the InChIKey of 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine?
The InChIKey is JAALIYCCAMGOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-13-5-6-15(16(11-13)18-2)19-10-8-14-7-9-17-12-14/h3,5-6,11,14,17H,1,4,7-10,12H2,2H3.
What are the key properties of 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine?
3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 167890113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).