3-amino-2-(4-aminophenyl)chromen-4-one

C15H12N2O2 — CID 10562758

IUPAC3-amino-2-(4-aminophenyl)chromen-4-one
SMILESNc1ccc(-c2oc3ccccc3c(=O)c2N)cc1
InChIInChI=1S/C15H12N2O2/c16-10-7-5-9(6-8-10)15-13(17)14(18)11-3-1-2-4-12(11)19-15/h1-8H,16-17H2
InChIKeyNKKNGIMMRHUVOS-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.62
Rot. Bonds1

About 3-amino-2-(4-aminophenyl)chromen-4-one

3-amino-2-(4-aminophenyl)chromen-4-one (PubChem CID 10562758) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-amino-2-(4-aminophenyl)chromen-4-one.

Molecular Properties

Compound Name3-amino-2-(4-aminophenyl)chromen-4-one
PubChem CID10562758
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-amino-2-(4-aminophenyl)chromen-4-one
SMILESNc1ccc(-c2oc3ccccc3c(=O)c2N)cc1
InChIInChI=1S/C15H12N2O2/c16-10-7-5-9(6-8-10)15-13(17)14(18)11-3-1-2-4-12(11)19-15/h1-8H,16-17H2
InChIKeyNKKNGIMMRHUVOS-UHFFFAOYSA-N
XLogP2.62
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.62
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 3-amino-2-(4-aminophenyl)chromen-4-one?
The IUPAC name of 3-amino-2-(4-aminophenyl)chromen-4-one (CID 10562758) is 3-amino-2-(4-aminophenyl)chromen-4-one.
What is the SMILES notation for 3-amino-2-(4-aminophenyl)chromen-4-one?
The canonical SMILES for 3-amino-2-(4-aminophenyl)chromen-4-one is Nc1ccc(-c2oc3ccccc3c(=O)c2N)cc1.
What is the InChIKey of 3-amino-2-(4-aminophenyl)chromen-4-one?
The InChIKey is NKKNGIMMRHUVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-10-7-5-9(6-8-10)15-13(17)14(18)11-3-1-2-4-12(11)19-15/h1-8H,16-17H2.
What are the key properties of 3-amino-2-(4-aminophenyl)chromen-4-one?
3-amino-2-(4-aminophenyl)chromen-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-aminophenyl)chromen-4-one is sourced from PubChem (CID 10562758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).