3-amino-1-methylanthracene-9,10-dione

C15H11NO2 — CID 15716485

IUPAC3-amino-1-methylanthracene-9,10-dione
SMILESCc1cc(N)cc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO2/c1-8-6-9(16)7-12-13(8)15(18)11-5-3-2-4-10(11)14(12)17/h2-7H,16H2,1H3
InChIKeyOFZNCXFEPSYYPS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.35
Rot. Bonds

About 3-amino-1-methylanthracene-9,10-dione

3-amino-1-methylanthracene-9,10-dione (PubChem CID 15716485) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-1-methylanthracene-9,10-dione.

Molecular Properties

Compound Name3-amino-1-methylanthracene-9,10-dione
PubChem CID15716485
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name3-amino-1-methylanthracene-9,10-dione
SMILESCc1cc(N)cc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO2/c1-8-6-9(16)7-12-13(8)15(18)11-5-3-2-4-10(11)14(12)17/h2-7H,16H2,1H3
InChIKeyOFZNCXFEPSYYPS-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1,4-dimethylanthracene-9,10-dione;2,3-dimethylanthracene-9,10-dione
CID 158117057
1-methyl-3-nitroanthracene-9,10-dione
CID 86256957
1-amino-3-chloro-2-methylanthracene-9,10-dione
CID 20540580
4-methylbenzo[g]isoquinoline-5,10-dione
CID 73350960
6-methylbenzo[a]anthracene-7,12-dione
CID 12934886
1-(4-amino-9,10-dioxoanthracen-1-yl)-4-methylanthracene-9,10-dione;ethane
CID 90789335
2-amino-1,3-dichloroanthracene-9,10-dione
CID 626024
4-bromo-1-(furan-2-yl)-2-methylanthracene-9,10-dione
CID 168525701
CID 158261979
CID 158261979
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
1-(hydroxymethyl)-3-methylanthracene-9,10-dione
CID 44633964

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylanthracene-9,10-dione?
The IUPAC name of 3-amino-1-methylanthracene-9,10-dione (CID 15716485) is 3-amino-1-methylanthracene-9,10-dione.
What is the SMILES notation for 3-amino-1-methylanthracene-9,10-dione?
The canonical SMILES for 3-amino-1-methylanthracene-9,10-dione is Cc1cc(N)cc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 3-amino-1-methylanthracene-9,10-dione?
The InChIKey is OFZNCXFEPSYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-8-6-9(16)7-12-13(8)15(18)11-5-3-2-4-10(11)14(12)17/h2-7H,16H2,1H3.
What are the key properties of 3-amino-1-methylanthracene-9,10-dione?
3-amino-1-methylanthracene-9,10-dione has a molecular weight of 237.26 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylanthracene-9,10-dione is sourced from PubChem (CID 15716485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).