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

C16H13NO2 — CID 2840206

IUPAC1-(dimethylamino)anthracene-9,10-dione
SMILESCN(C)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO2/c1-17(2)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9H,1-2H3
InChIKeyFCWBHVZCSYIWHX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.53
Rot. Bonds1

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

1-(dimethylamino)anthracene-9,10-dione (PubChem CID 2840206) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(dimethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(dimethylamino)anthracene-9,10-dione
PubChem CID2840206
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(dimethylamino)anthracene-9,10-dione
SMILESCN(C)c1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H13NO2/c1-17(2)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9H,1-2H3
InChIKeyFCWBHVZCSYIWHX-UHFFFAOYSA-N
XLogP2.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)anthracene-9,10-dione?
The IUPAC name of 1-(dimethylamino)anthracene-9,10-dione (CID 2840206) is 1-(dimethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-(dimethylamino)anthracene-9,10-dione?
The canonical SMILES for 1-(dimethylamino)anthracene-9,10-dione is CN(C)c1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(dimethylamino)anthracene-9,10-dione?
The InChIKey is FCWBHVZCSYIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17(2)13-9-5-8-12-14(13)16(19)11-7-4-3-6-10(11)15(12)18/h3-9H,1-2H3.
What are the key properties of 1-(dimethylamino)anthracene-9,10-dione?
1-(dimethylamino)anthracene-9,10-dione has a molecular weight of 251.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)anthracene-9,10-dione is sourced from PubChem (CID 2840206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).