1,5-diaminoanthracene-9,10-dione

C14H10N2O2 — CID 8513

IUPAC1,5-diaminoanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1cccc(N)c1C2=O
InChIInChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
InChIKeyVWBVCOPVKXNMMZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.63
Rot. Bonds

About 1,5-diaminoanthracene-9,10-dione

1,5-diaminoanthracene-9,10-dione (PubChem CID 8513) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1,5-diaminoanthracene-9,10-dione.

Molecular Properties

Compound Name1,5-diaminoanthracene-9,10-dione
PubChem CID8513
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1,5-diaminoanthracene-9,10-dione
SMILESNc1cccc2c1C(=O)c1cccc(N)c1C2=O
InChIInChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2
InChIKeyVWBVCOPVKXNMMZ-UHFFFAOYSA-N
XLogP1.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diaminoanthracene-9,10-dione?
The IUPAC name of 1,5-diaminoanthracene-9,10-dione (CID 8513) is 1,5-diaminoanthracene-9,10-dione.
What is the SMILES notation for 1,5-diaminoanthracene-9,10-dione?
The canonical SMILES for 1,5-diaminoanthracene-9,10-dione is Nc1cccc2c1C(=O)c1cccc(N)c1C2=O.
What is the InChIKey of 1,5-diaminoanthracene-9,10-dione?
The InChIKey is VWBVCOPVKXNMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H,15-16H2.
What are the key properties of 1,5-diaminoanthracene-9,10-dione?
1,5-diaminoanthracene-9,10-dione has a molecular weight of 238.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminoanthracene-9,10-dione is sourced from PubChem (CID 8513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).