2,7-diaminoxanthen-9-one

C13H10N2O2 — CID 2770072

IUPAC2,7-diaminoxanthen-9-one
SMILESNc1ccc2oc3ccc(N)cc3c(=O)c2c1
InChIInChI=1S/C13H10N2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H,14-15H2
InChIKeyATLPNNQYMFUNKY-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.11
Rot. Bonds

About 2,7-diaminoxanthen-9-one

2,7-diaminoxanthen-9-one (PubChem CID 2770072) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,7-diaminoxanthen-9-one.

Molecular Properties

Compound Name2,7-diaminoxanthen-9-one
PubChem CID2770072
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2,7-diaminoxanthen-9-one
SMILESNc1ccc2oc3ccc(N)cc3c(=O)c2c1
InChIInChI=1S/C13H10N2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H,14-15H2
InChIKeyATLPNNQYMFUNKY-UHFFFAOYSA-N
XLogP2.11
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-diaminoxanthen-9-one?
The IUPAC name of 2,7-diaminoxanthen-9-one (CID 2770072) is 2,7-diaminoxanthen-9-one.
What is the SMILES notation for 2,7-diaminoxanthen-9-one?
The canonical SMILES for 2,7-diaminoxanthen-9-one is Nc1ccc2oc3ccc(N)cc3c(=O)c2c1.
What is the InChIKey of 2,7-diaminoxanthen-9-one?
The InChIKey is ATLPNNQYMFUNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H,14-15H2.
What are the key properties of 2,7-diaminoxanthen-9-one?
2,7-diaminoxanthen-9-one has a molecular weight of 226.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diaminoxanthen-9-one is sourced from PubChem (CID 2770072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).