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

C10H11NO3 — CID 2834221

IUPAC1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
SMILESCC(=O)c1cc2c(cc1N)OCCO2
InChIInChI=1S/C10H11NO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3,11H2,1H3
InChIKeyIYNHYCZHYHZGMW-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.24
Rot. Bonds1

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

1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone (PubChem CID 2834221) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone.

Molecular Properties

Compound Name1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
PubChem CID2834221
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
SMILESCC(=O)c1cc2c(cc1N)OCCO2
InChIInChI=1S/C10H11NO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3,11H2,1H3
InChIKeyIYNHYCZHYHZGMW-UHFFFAOYSA-N
XLogP1.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone?
The IUPAC name of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone (CID 2834221) is 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone.
What is the SMILES notation for 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone?
The canonical SMILES for 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone is CC(=O)c1cc2c(cc1N)OCCO2.
What is the InChIKey of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone?
The InChIKey is IYNHYCZHYHZGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(12)7-4-9-10(5-8(7)11)14-3-2-13-9/h4-5H,2-3,11H2,1H3.
What are the key properties of 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone?
1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone has a molecular weight of 193.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone is sourced from PubChem (CID 2834221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).