2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone

C13H15NO3 — CID 2891337

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCCC1
InChIInChI=1S/C13H15NO3/c15-13(14-7-3-4-8-14)12-9-16-10-5-1-2-6-11(10)17-12/h1-2,5-6,12H,3-4,7-9H2
InChIKeyNQDSGCHYXIQWPV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone

2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone (PubChem CID 2891337) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone
PubChem CID2891337
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCCC1
InChIInChI=1S/C13H15NO3/c15-13(14-7-3-4-8-14)12-9-16-10-5-1-2-6-11(10)17-12/h1-2,5-6,12H,3-4,7-9H2
InChIKeyNQDSGCHYXIQWPV-UHFFFAOYSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
CID 910270
N-1,4-Benzodioxane-2-carbonyl piperazine
CID 2735449
3-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 138621471
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 138621689
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (2-hydroxy-ethyl)-amide
CID 585104
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-phenoxyacetamide
CID 3135701
ethyl N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)glycinate
CID 3756954
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 425322
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)-4-methylpiperidine
CID 2843517
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperidine
CID 3125219
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 3911564
2,3-Dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanone
CID 2867174

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone (CID 2891337) is 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone is O=C(C1COc2ccccc2O1)N1CCCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone?
The InChIKey is NQDSGCHYXIQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(14-7-3-4-8-14)12-9-16-10-5-1-2-6-11(10)17-12/h1-2,5-6,12H,3-4,7-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone?
2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone has a molecular weight of 233.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 2891337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).