1-hydroxy-8-nitrosoanthracene-9,10-dione

C14H7NO4 — CID 118601713

IUPAC1-hydroxy-8-nitrosoanthracene-9,10-dione
SMILESO=Nc1cccc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C14H7NO4/c16-10-6-2-4-8-12(10)14(18)11-7(13(8)17)3-1-5-9(11)15-19/h1-6,16H
InChIKeyMGGDDOZFOGLQNO-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.57
Rot. Bonds1

About 1-hydroxy-8-nitrosoanthracene-9,10-dione

1-hydroxy-8-nitrosoanthracene-9,10-dione (PubChem CID 118601713) has the molecular formula C14H7NO4 and a molecular weight of 253.21 g/mol. Its IUPAC name is 1-hydroxy-8-nitrosoanthracene-9,10-dione.

Molecular Properties

Compound Name1-hydroxy-8-nitrosoanthracene-9,10-dione
PubChem CID118601713
Molecular FormulaC14H7NO4
Molecular Weight253.21 g/mol
Exact Mass253.04
IUPAC Name1-hydroxy-8-nitrosoanthracene-9,10-dione
SMILESO=Nc1cccc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C14H7NO4/c16-10-6-2-4-8-12(10)14(18)11-7(13(8)17)3-1-5-9(11)15-19/h1-6,16H
InChIKeyMGGDDOZFOGLQNO-UHFFFAOYSA-N
XLogP2.57
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-hydroxy-8-nitrosoanthracene-9,10-dione?
The IUPAC name of 1-hydroxy-8-nitrosoanthracene-9,10-dione (CID 118601713) is 1-hydroxy-8-nitrosoanthracene-9,10-dione.
What is the SMILES notation for 1-hydroxy-8-nitrosoanthracene-9,10-dione?
The canonical SMILES for 1-hydroxy-8-nitrosoanthracene-9,10-dione is O=Nc1cccc2c1C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 1-hydroxy-8-nitrosoanthracene-9,10-dione?
The InChIKey is MGGDDOZFOGLQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7NO4/c16-10-6-2-4-8-12(10)14(18)11-7(13(8)17)3-1-5-9(11)15-19/h1-6,16H.
What are the key properties of 1-hydroxy-8-nitrosoanthracene-9,10-dione?
1-hydroxy-8-nitrosoanthracene-9,10-dione has a molecular weight of 253.21 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-8-nitrosoanthracene-9,10-dione is sourced from PubChem (CID 118601713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).