(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride

C11H14ClNO2 — CID 171197468

IUPAC(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
SMILESCl.c1cc2c(c([C@H]3CCN3)c1)OCCO2
InChIInChI=1S/C11H13NO2.ClH/c1-2-8(9-4-5-12-9)11-10(3-1)13-6-7-14-11;/h1-3,9,12H,4-7H2;1H/t9-;/m1./s1
InChIKeyPFGLFTRGXBUEDU-SBSPUUFOSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds1

About (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride (PubChem CID 171197468) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
PubChem CID171197468
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
SMILESCl.c1cc2c(c([C@H]3CCN3)c1)OCCO2
InChIInChI=1S/C11H13NO2.ClH/c1-2-8(9-4-5-12-9)11-10(3-1)13-6-7-14-11;/h1-3,9,12H,4-7H2;1H/t9-;/m1./s1
InChIKeyPFGLFTRGXBUEDU-SBSPUUFOSA-N
XLogP1.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methyl-1,4-diazepane
CID 82623051
5-cyclopropyl-2,3-dihydro-1,4-benzodioxine
CID 54515769
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
(2R)-2-(1,3-benzodioxol-4-yl)piperidine;hydrochloride
CID 171195463
(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
CID 131172256
(2R)-2-(2,2-difluoro-1,3-benzodioxol-4-yl)azetidine;hydrochloride
CID 171197321
5-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-3-carboxylic acid
CID 82623130
(3R)-3-(1,3-benzodioxol-4-yl)morpholine;hydrochloride
CID 171192633
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride?
The IUPAC name of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride (CID 171197468) is (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride is Cl.c1cc2c(c([C@H]3CCN3)c1)OCCO2.
What is the InChIKey of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride?
The InChIKey is PFGLFTRGXBUEDU-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-2-8(9-4-5-12-9)11-10(3-1)13-6-7-14-11;/h1-3,9,12H,4-7H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride?
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride is sourced from PubChem (CID 171197468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).