1-(methylamino)anthracene-9,10-dione

C15H11NO2 — CID 6706

IUPAC1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3
InChIKeySVTDYSXXLJYUTM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.50
Rot. Bonds1

About 1-(methylamino)anthracene-9,10-dione

1-(methylamino)anthracene-9,10-dione (PubChem CID 6706) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(methylamino)anthracene-9,10-dione
PubChem CID6706
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3
InChIKeySVTDYSXXLJYUTM-UHFFFAOYSA-N
XLogP2.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)anthracene-9,10-dione?
The IUPAC name of 1-(methylamino)anthracene-9,10-dione (CID 6706) is 1-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 1-(methylamino)anthracene-9,10-dione is CNc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(methylamino)anthracene-9,10-dione?
The InChIKey is SVTDYSXXLJYUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-16-12-8-4-7-11-13(12)15(18)10-6-3-2-5-9(10)14(11)17/h2-8,16H,1H3.
What are the key properties of 1-(methylamino)anthracene-9,10-dione?
1-(methylamino)anthracene-9,10-dione has a molecular weight of 237.26 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 6706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).