1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine

C14H19NO — CID 168512674

IUPAC1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
SMILESC=C(C)COc1cccc(N2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-12(2)11-16-14-7-5-6-13(10-14)15-8-3-4-9-15/h5-7,10H,1,3-4,8-9,11H2,2H3
InChIKeyFZWYXKAHPPXZJZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine

1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine (PubChem CID 168512674) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
PubChem CID168512674
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine
SMILESC=C(C)COc1cccc(N2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-12(2)11-16-14-7-5-6-13(10-14)15-8-3-4-9-15/h5-7,10H,1,3-4,8-9,11H2,2H3
InChIKeyFZWYXKAHPPXZJZ-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
1-(3-methoxyphenyl)azepane
CID 57276431
3-(3-piperidin-1-ylphenoxy)propan-1-amine
CID 19816119
4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
CID 168701900
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
CID 146098529
(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
CID 13483047
1-(3-ethoxyphenyl)-4-ethylpiperazine;3-methylbut-3-enenitrile;methylcyclohexane
CID 143598717
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716937
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
[1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672720
2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 170769259

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
The IUPAC name of 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine (CID 168512674) is 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine is C=C(C)COc1cccc(N2CCCC2)c1.
What is the InChIKey of 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
The InChIKey is FZWYXKAHPPXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-12(2)11-16-14-7-5-6-13(10-14)15-8-3-4-9-15/h5-7,10H,1,3-4,8-9,11H2,2H3.
What are the key properties of 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine?
1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine is sourced from PubChem (CID 168512674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).