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

C15H11NO3 — CID 174884290

IUPAC1-(aminooxymethyl)anthracene-9,10-dione
SMILESNOCc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO3/c16-19-8-9-4-3-7-12-13(9)15(18)11-6-2-1-5-10(11)14(12)17/h1-7H,8,16H2
InChIKeyDTJHKEWRYAKDBW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds2

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

1-(aminooxymethyl)anthracene-9,10-dione (PubChem CID 174884290) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(aminooxymethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(aminooxymethyl)anthracene-9,10-dione
PubChem CID174884290
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name1-(aminooxymethyl)anthracene-9,10-dione
SMILESNOCc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO3/c16-19-8-9-4-3-7-12-13(9)15(18)11-6-2-1-5-10(11)14(12)17/h1-7H,8,16H2
InChIKeyDTJHKEWRYAKDBW-UHFFFAOYSA-N
XLogP1.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
1-(3-methyl-2-oxobutyl)anthracene-9,10-dione
CID 143724181
2-(aminooxymethyl)anthracene-9,10-dione
CID 11402535
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
1-dodecylanthracene-9,10-dione
CID 67664417
1-(cyclohexylmethyl)anthracene-9,10-dione
CID 22447657
1-decylanthracene-9,10-dione
CID 139845419
1,4-dibenzylanthracene-9,10-dione;1,5-dibenzylanthracene-9,10-dione
CID 159427852
1-aminoanthracene-9,10-dione;dichloromethane
CID 160969534
2-(9-oxofluoren-1-yl)acetic acid
CID 12692062
1-aminoanthracene-9,10-dione;molecular nitrogen
CID 67788391
CID 158452185
CID 158452185

Frequently Asked Questions

What is the IUPAC name of 1-(aminooxymethyl)anthracene-9,10-dione?
The IUPAC name of 1-(aminooxymethyl)anthracene-9,10-dione (CID 174884290) is 1-(aminooxymethyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(aminooxymethyl)anthracene-9,10-dione?
The canonical SMILES for 1-(aminooxymethyl)anthracene-9,10-dione is NOCc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(aminooxymethyl)anthracene-9,10-dione?
The InChIKey is DTJHKEWRYAKDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-19-8-9-4-3-7-12-13(9)15(18)11-6-2-1-5-10(11)14(12)17/h1-7H,8,16H2.
What are the key properties of 1-(aminooxymethyl)anthracene-9,10-dione?
1-(aminooxymethyl)anthracene-9,10-dione has a molecular weight of 253.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminooxymethyl)anthracene-9,10-dione is sourced from PubChem (CID 174884290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).