N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C10H12N2O3 — CID 3146107

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C10H12N2O3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3,11H2,1H3,(H,12,13)
InChIKeyLJXBBVIIWHUUSY-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.00
Rot. Bonds1

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 3146107) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID3146107
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1N)OCCO2
InChIInChI=1S/C10H12N2O3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3,11H2,1H3,(H,12,13)
InChIKeyLJXBBVIIWHUUSY-UHFFFAOYSA-N
XLogP1.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 3146107) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(=O)Nc1cc2c(cc1N)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is LJXBBVIIWHUUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(13)12-8-5-10-9(4-7(8)11)14-2-3-15-10/h4-5H,2-3,11H2,1H3,(H,12,13).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 208.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 3146107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).