2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine

C21H23NO2 — CID 166187206

IUPAC2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESC(=C/c1ccccc1)\CN1CCCC1c1cccc2c1OCCO2
InChIInChI=1S/C21H23NO2/c1-2-7-17(8-3-1)9-5-13-22-14-6-11-19(22)18-10-4-12-20-21(18)24-16-15-23-20/h1-5,7-10,12,19H,6,11,13-16H2/b9-5+
InChIKeyAKOJLKHENPSTPZ-WEVVVXLNSA-N
MW321.42 g/mol
LogP4.31
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine

2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine (PubChem CID 166187206) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine
PubChem CID166187206
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine
SMILESC(=C/c1ccccc1)\CN1CCCC1c1cccc2c1OCCO2
InChIInChI=1S/C21H23NO2/c1-2-7-17(8-3-1)9-5-13-22-14-6-11-19(22)18-10-4-12-20-21(18)24-16-15-23-20/h1-5,7-10,12,19H,6,11,13-16H2/b9-5+
InChIKeyAKOJLKHENPSTPZ-WEVVVXLNSA-N
XLogP4.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]ethyl]benzoic acid
CID 136550403
2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124730454
[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751671
1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylic acid
CID 43442189
4-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119314985
6-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053568
5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 129466809
4-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 120562051
7-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119768693
(2S)-2-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]propan-1-one
CID 119314970
[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781111
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine (CID 166187206) is 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine is C(=C/c1ccccc1)\CN1CCCC1c1cccc2c1OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
The InChIKey is AKOJLKHENPSTPZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-7-17(8-3-1)9-5-13-22-14-6-11-19(22)18-10-4-12-20-21(18)24-16-15-23-20/h1-5,7-10,12,19H,6,11,13-16H2/b9-5+.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine?
2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine has a molecular weight of 321.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine is sourced from PubChem (CID 166187206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).