dibenzo-p-dioxin-2-amine

C12H9NO2 — CID 1070744

IUPACdibenzo-p-dioxin-2-amine
SMILESNc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C12H9NO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H,13H2
InChIKeyHEQHKDYXHRCKHZ-UHFFFAOYSA-N
MW199.21 g/mol
LogP3.17
Rot. Bonds

About dibenzo-p-dioxin-2-amine

dibenzo-p-dioxin-2-amine (PubChem CID 1070744) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is dibenzo-p-dioxin-2-amine.

Molecular Properties

Compound Namedibenzo-p-dioxin-2-amine
PubChem CID1070744
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Namedibenzo-p-dioxin-2-amine
SMILESNc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C12H9NO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H,13H2
InChIKeyHEQHKDYXHRCKHZ-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzo-p-dioxin-2-amine?
The IUPAC name of dibenzo-p-dioxin-2-amine (CID 1070744) is dibenzo-p-dioxin-2-amine.
What is the SMILES notation for dibenzo-p-dioxin-2-amine?
The canonical SMILES for dibenzo-p-dioxin-2-amine is Nc1ccc2c(c1)Oc1ccccc1O2.
What is the InChIKey of dibenzo-p-dioxin-2-amine?
The InChIKey is HEQHKDYXHRCKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c13-8-5-6-11-12(7-8)15-10-4-2-1-3-9(10)14-11/h1-7H,13H2.
What are the key properties of dibenzo-p-dioxin-2-amine?
dibenzo-p-dioxin-2-amine has a molecular weight of 199.21 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzo-p-dioxin-2-amine is sourced from PubChem (CID 1070744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).