2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile

C10H9NO3 — CID 23850252

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile
SMILESN#CCOc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H9NO3/c11-3-4-12-8-1-2-9-10(7-8)14-6-5-13-9/h1-2,7H,4-6H2
InChIKeyFCCLZNUDRRSREH-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.36
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile (PubChem CID 23850252) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile
PubChem CID23850252
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile
SMILESN#CCOc1ccc2c(c1)OCCO2
InChIInChI=1S/C10H9NO3/c11-3-4-12-8-1-2-9-10(7-8)14-6-5-13-9/h1-2,7H,4-6H2
InChIKeyFCCLZNUDRRSREH-UHFFFAOYSA-N
XLogP1.36
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26909206
6-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 123641845
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
(E)-3-[4-(cyanomethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-enamide
CID 78775883
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetate
CID 7081819
3-(1,3-benzodioxol-5-yloxy)-2-methylpropanenitrile
CID 43174885
4-(1,3-benzodioxol-5-yloxy)-2,2-dimethylbutanenitrile
CID 65256760
2-(4-tert-butyl-3-iodophenoxy)acetonitrile
CID 146376692
2-(4-bromo-3-chlorophenoxy)acetonitrile
CID 130608314
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 7670398
2-[4-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]phenoxy]acetonitrile
CID 78794031
2-(1,3-benzodioxol-5-yloxymethyl)-4-fluorobenzonitrile
CID 103759935

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile (CID 23850252) is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile is N#CCOc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile?
The InChIKey is FCCLZNUDRRSREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c11-3-4-12-8-1-2-9-10(7-8)14-6-5-13-9/h1-2,7H,4-6H2.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile?
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile has a molecular weight of 191.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetonitrile is sourced from PubChem (CID 23850252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).