8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile

C11H11NO3 — CID 117293182

IUPAC8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
SMILESCOCc1ccc(C#N)c2c1OCCO2
InChIInChI=1S/C11H11NO3/c1-13-7-9-3-2-8(6-12)10-11(9)15-5-4-14-10/h2-3H,4-5,7H2,1H3
InChIKeyBJXMDJZBAKTFII-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.48
Rot. Bonds2

About 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile

8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile (PubChem CID 117293182) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile.

Molecular Properties

Compound Name8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
PubChem CID117293182
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
SMILESCOCc1ccc(C#N)c2c1OCCO2
InChIInChI=1S/C11H11NO3/c1-13-7-9-3-2-8(6-12)10-11(9)15-5-4-14-10/h2-3H,4-5,7H2,1H3
InChIKeyBJXMDJZBAKTFII-UHFFFAOYSA-N
XLogP1.48
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
[1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclobutyl]methanamine
CID 117412716
4-(aminomethyl)-2-(methoxymethyl)benzonitrile
CID 58079864
3-[8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117412926
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanol
CID 117321785
4-(methoxymethyl)thiophene-3-carbonitrile
CID 82416850
1-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]cyclopentan-1-amine
CID 117376205
1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-methylpropan-2-amine
CID 117381667
O-[[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]hydroxylamine
CID 117323146
ethane;methyl 4-cyano-3-(methoxymethyl)benzoate
CID 144882044
2-fluoro-4-(methoxymethyl)benzonitrile
CID 117276304
[3-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117412050

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile?
The IUPAC name of 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile (CID 117293182) is 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile.
What is the SMILES notation for 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile?
The canonical SMILES for 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile is COCc1ccc(C#N)c2c1OCCO2.
What is the InChIKey of 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile?
The InChIKey is BJXMDJZBAKTFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-13-7-9-3-2-8(6-12)10-11(9)15-5-4-14-10/h2-3H,4-5,7H2,1H3.
What are the key properties of 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile?
8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile has a molecular weight of 205.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine-5-carbonitrile is sourced from PubChem (CID 117293182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).