4-imino-4aH-anthracene-9,10-dione

C14H9NO2 — CID 67693376

IUPAC4-imino-4aH-anthracene-9,10-dione
SMILES[H]/N=C1\C=CC=C2C(=O)c3ccccc3C(=O)C21
InChIInChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,12,15H/b15-11+
InChIKeyYIGSBIOWPZDANE-RVDMUPIBSA-N
MW223.23 g/mol
LogP2.20
Rot. Bonds

About 4-imino-4aH-anthracene-9,10-dione

4-imino-4aH-anthracene-9,10-dione (PubChem CID 67693376) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-imino-4aH-anthracene-9,10-dione.

Molecular Properties

Compound Name4-imino-4aH-anthracene-9,10-dione
PubChem CID67693376
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name4-imino-4aH-anthracene-9,10-dione
SMILES[H]/N=C1\C=CC=C2C(=O)c3ccccc3C(=O)C21
InChIInChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,12,15H/b15-11+
InChIKeyYIGSBIOWPZDANE-RVDMUPIBSA-N
XLogP2.20
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-4aH-anthracene-9,10-dione?
The IUPAC name of 4-imino-4aH-anthracene-9,10-dione (CID 67693376) is 4-imino-4aH-anthracene-9,10-dione.
What is the SMILES notation for 4-imino-4aH-anthracene-9,10-dione?
The canonical SMILES for 4-imino-4aH-anthracene-9,10-dione is [H]/N=C1\C=CC=C2C(=O)c3ccccc3C(=O)C21.
What is the InChIKey of 4-imino-4aH-anthracene-9,10-dione?
The InChIKey is YIGSBIOWPZDANE-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H9NO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,12,15H/b15-11+.
What are the key properties of 4-imino-4aH-anthracene-9,10-dione?
4-imino-4aH-anthracene-9,10-dione has a molecular weight of 223.23 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-4aH-anthracene-9,10-dione is sourced from PubChem (CID 67693376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).