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

C15H11NO3 — CID 11402535

IUPAC2-(aminooxymethyl)anthracene-9,10-dione
SMILESNOCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO3/c16-19-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8,16H2
InChIKeyMRRNMZAOUHJZHA-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds2

About 2-(aminooxymethyl)anthracene-9,10-dione

2-(aminooxymethyl)anthracene-9,10-dione (PubChem CID 11402535) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(aminooxymethyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(aminooxymethyl)anthracene-9,10-dione
PubChem CID11402535
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(aminooxymethyl)anthracene-9,10-dione
SMILESNOCc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H11NO3/c16-19-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8,16H2
InChIKeyMRRNMZAOUHJZHA-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

bis[(9,10-dioxoanthracen-2-yl)methyl] pentanedioate
CID 21120719
2-(3-methylbutan-2-yloxymethyl)anthracene-9,10-dione
CID 138749434
2-propylanthracene-9,10-dione
CID 22643716
(9,10-dioxoanthracen-2-yl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 137390827
2-[[4-(methylamino)phenoxy]methyl]anthracene-9,10-dione
CID 67471932
3-ethylfluoren-9-one
CID 11344805
1-(aminooxymethyl)anthracene-9,10-dione
CID 174884290
12-[(9,10-dioxoanthracen-2-yl)methoxy]dodecanoic acid
CID 102122299
2-[(4-oxo-3H-phthalazin-1-yl)oxymethyl]anthracene-9,10-dione
CID 102150809
2,6-bis(hydroxymethyl)anthracene-9,10-dione
CID 68533927
2-hydroxyanthracene-9,10-dione
CID 11796
2,6-diethylanthracene-9,10-dione
CID 130464580

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)anthracene-9,10-dione?
The IUPAC name of 2-(aminooxymethyl)anthracene-9,10-dione (CID 11402535) is 2-(aminooxymethyl)anthracene-9,10-dione.
What is the SMILES notation for 2-(aminooxymethyl)anthracene-9,10-dione?
The canonical SMILES for 2-(aminooxymethyl)anthracene-9,10-dione is NOCc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(aminooxymethyl)anthracene-9,10-dione?
The InChIKey is MRRNMZAOUHJZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-19-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H,8,16H2.
What are the key properties of 2-(aminooxymethyl)anthracene-9,10-dione?
2-(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 2-(aminooxymethyl)anthracene-9,10-dione is sourced from PubChem (CID 11402535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).