9,10-dioxoanthracene-2-carbonitrile

C15H7NO2 — CID 13182761

IUPAC9,10-dioxoanthracene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H7NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H
InChIKeyWOUWMLCELPTUSF-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.33
Rot. Bonds

About 9,10-dioxoanthracene-2-carbonitrile

9,10-dioxoanthracene-2-carbonitrile (PubChem CID 13182761) has the molecular formula C15H7NO2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 9,10-dioxoanthracene-2-carbonitrile.

Molecular Properties

Compound Name9,10-dioxoanthracene-2-carbonitrile
PubChem CID13182761
Molecular FormulaC15H7NO2
Molecular Weight233.23 g/mol
Exact Mass233.05
IUPAC Name9,10-dioxoanthracene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H7NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H
InChIKeyWOUWMLCELPTUSF-UHFFFAOYSA-N
XLogP2.33
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.33
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 9,10-dioxoanthracene-2-carbonitrile?
The IUPAC name of 9,10-dioxoanthracene-2-carbonitrile (CID 13182761) is 9,10-dioxoanthracene-2-carbonitrile.
What is the SMILES notation for 9,10-dioxoanthracene-2-carbonitrile?
The canonical SMILES for 9,10-dioxoanthracene-2-carbonitrile is N#Cc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 9,10-dioxoanthracene-2-carbonitrile?
The InChIKey is WOUWMLCELPTUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7NO2/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7H.
What are the key properties of 9,10-dioxoanthracene-2-carbonitrile?
9,10-dioxoanthracene-2-carbonitrile has a molecular weight of 233.23 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxoanthracene-2-carbonitrile is sourced from PubChem (CID 13182761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).