(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride

C11H14ClNO — CID 171196730

IUPAC(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
SMILESCl.c1cc2c(cc1[C@@H]1CCN1)CCO2
InChIInChI=1S/C11H13NO.ClH/c1-2-11-9(4-6-13-11)7-8(1)10-3-5-12-10;/h1-2,7,10,12H,3-6H2;1H/t10-;/m0./s1
InChIKeyAWSWUBAFPCRRNJ-PPHPATTJSA-N
MW211.69 g/mol
LogP2.08
Rot. Bonds1

About (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride (PubChem CID 171196730) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
PubChem CID171196730
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
SMILESCl.c1cc2c(cc1[C@@H]1CCN1)CCO2
InChIInChI=1S/C11H13NO.ClH/c1-2-11-9(4-6-13-11)7-8(1)10-3-5-12-10;/h1-2,7,10,12H,3-6H2;1H/t10-;/m0./s1
InChIKeyAWSWUBAFPCRRNJ-PPHPATTJSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
CID 104544340
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
CID 130708733
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride?
The IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride (CID 171196730) is (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride?
The canonical SMILES for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride is Cl.c1cc2c(cc1[C@@H]1CCN1)CCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride?
The InChIKey is AWSWUBAFPCRRNJ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c1-2-11-9(4-6-13-11)7-8(1)10-3-5-12-10;/h1-2,7,10,12H,3-6H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride?
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride is sourced from PubChem (CID 171196730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).