3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine

C11H13NO2 — CID 82281355

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
SMILESc1cc2c(cc1C1CNC1)OCCO2
InChIInChI=1S/C11H13NO2/c1-2-10-11(14-4-3-13-10)5-8(1)9-6-12-7-9/h1-2,5,9,12H,3-4,6-7H2
InChIKeyTVVJRUPANZQSRO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.14
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine

3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine (PubChem CID 82281355) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
PubChem CID82281355
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine
SMILESc1cc2c(cc1C1CNC1)OCCO2
InChIInChI=1S/C11H13NO2/c1-2-10-11(14-4-3-13-10)5-8(1)9-6-12-7-9/h1-2,5,9,12H,3-4,6-7H2
InChIKeyTVVJRUPANZQSRO-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 80503800
2-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
CID 63297544
3-(1,3-benzodioxol-5-yl)piperidine
CID 66727486
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepane
CID 80503780
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclohexan-1-amine
CID 82295861
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylazetidin-3-amine
CID 117040529
(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
CID 96748686
3-naphthalen-2-ylazetidine
CID 116962282
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
5-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 82158646
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylmorpholine
CID 65101722
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,4-oxazepane
CID 83188382

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine (CID 82281355) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine is c1cc2c(cc1C1CNC1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine?
The InChIKey is TVVJRUPANZQSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-10-11(14-4-3-13-10)5-8(1)9-6-12-7-9/h1-2,5,9,12H,3-4,6-7H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine has a molecular weight of 191.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)azetidine is sourced from PubChem (CID 82281355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).