2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide

C13H17BrN2O3 — CID 88841673

IUPAC2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide
SMILESBr.Cc1oc2c(OC(C)C(N)=NO)cccc2c1C
InChIInChI=1S/C13H16N2O3.BrH/c1-7-8(2)18-12-10(7)5-4-6-11(12)17-9(3)13(14)15-16;/h4-6,9,16H,1-3H3,(H2,14,15);1H
InChIKeyVMCCLXOTSXEGEF-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.14
Rot. Bonds3

About 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide

2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide (PubChem CID 88841673) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide.

Molecular Properties

Compound Name2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide
PubChem CID88841673
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide
SMILESBr.Cc1oc2c(OC(C)C(N)=NO)cccc2c1C
InChIInChI=1S/C13H16N2O3.BrH/c1-7-8(2)18-12-10(7)5-4-6-11(12)17-9(3)13(14)15-16;/h4-6,9,16H,1-3H3,(H2,14,15);1H
InChIKeyVMCCLXOTSXEGEF-UHFFFAOYSA-N
XLogP3.14
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(2-methylsulfanylphenoxy)propanimidamide
CID 77003399
2-(9H-carbazol-4-yloxy)-N'-hydroxypropanimidamide
CID 3070308
2-(2-ethylphenoxy)-N'-hydroxypropanimidamide
CID 76915107
2-(2,4-dibromophenoxy)-N'-hydroxypropanimidamide
CID 77055072
ethyl (2S)-2-dibenzofuran-4-yloxypropanoate
CID 129404181
N'-hydroxy-2-naphthalen-2-yloxypropanimidamide;hydrochloride
CID 160507416
(2R)-2-(2,4-dichlorophenoxy)-N'-hydroxypropanimidamide
CID 7222417
N'-hydroxy-2-(2,3,4,5,6-pentafluorophenoxy)propanimidamide
CID 76915183
N'-hydroxy-2-methoxypropanimidamide
CID 72581636
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
(2,3-dimethyl-1-benzofuran-7-yl)carbamic acid
CID 174281750

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide?
The IUPAC name of 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide (CID 88841673) is 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide.
What is the SMILES notation for 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide?
The canonical SMILES for 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide is Br.Cc1oc2c(OC(C)C(N)=NO)cccc2c1C.
What is the InChIKey of 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide?
The InChIKey is VMCCLXOTSXEGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3.BrH/c1-7-8(2)18-12-10(7)5-4-6-11(12)17-9(3)13(14)15-16;/h4-6,9,16H,1-3H3,(H2,14,15);1H.
What are the key properties of 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide?
2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide has a molecular weight of 329.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethyl-1-benzofuran-7-yl)oxy]-N'-hydroxypropanimidamide;hydrobromide is sourced from PubChem (CID 88841673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).