2,3-benzodioxin-4-amine

C8H7NO2 — CID 154073327

IUPAC2,3-benzodioxin-4-amine
SMILESNC1=c2ccccc2=COO1
InChIInChI=1S/C8H7NO2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,9H2
InChIKeyQNBNWGDQTGSYSO-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.59
Rot. Bonds

About 2,3-benzodioxin-4-amine

2,3-benzodioxin-4-amine (PubChem CID 154073327) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,3-benzodioxin-4-amine.

Molecular Properties

Compound Name2,3-benzodioxin-4-amine
PubChem CID154073327
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name2,3-benzodioxin-4-amine
SMILESNC1=c2ccccc2=COO1
InChIInChI=1S/C8H7NO2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,9H2
InChIKeyQNBNWGDQTGSYSO-UHFFFAOYSA-N
XLogP-0.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-benzodioxin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3H-isochromene
CID 141444266
benzo[d][2,1]benzoxazepine
CID 3080684
benzo[d][2]benzothiepine
CID 610904
acetylene;biphenylene
CID 159796099
isochromeno[4,3-b]chromene
CID 91373309
benzene-1,2-diamine;zinc
CID 70562194
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
2,3-dihydronaphthalen-1-ol;methane
CID 145444445
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
methanamine;tetraphenylboranuide
CID 175835863
6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
CID 76974055

Frequently Asked Questions

What is the IUPAC name of 2,3-benzodioxin-4-amine?
The IUPAC name of 2,3-benzodioxin-4-amine (CID 154073327) is 2,3-benzodioxin-4-amine.
What is the SMILES notation for 2,3-benzodioxin-4-amine?
The canonical SMILES for 2,3-benzodioxin-4-amine is NC1=c2ccccc2=COO1.
What is the InChIKey of 2,3-benzodioxin-4-amine?
The InChIKey is QNBNWGDQTGSYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,9H2.
What are the key properties of 2,3-benzodioxin-4-amine?
2,3-benzodioxin-4-amine has a molecular weight of 149.15 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-benzodioxin-4-amine is sourced from PubChem (CID 154073327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).