3-imino-4H-anthracene-1,2-dione

C14H9NO2 — CID 56621494

IUPAC3-imino-4H-anthracene-1,2-dione
SMILES[H]/N=C1\Cc2cc3ccccc3cc2C(=O)C1=O
InChIInChI=1S/C14H9NO2/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14(12)17/h1-6,15H,7H2/b15-12+
InChIKeyFNTZGTVEEOUOCH-NTCAYCPXSA-N
MW223.23 g/mol
LogP2.17
Rot. Bonds

About 3-imino-4H-anthracene-1,2-dione

3-imino-4H-anthracene-1,2-dione (PubChem CID 56621494) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-imino-4H-anthracene-1,2-dione.

Molecular Properties

Compound Name3-imino-4H-anthracene-1,2-dione
PubChem CID56621494
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-imino-4H-anthracene-1,2-dione
SMILES[H]/N=C1\Cc2cc3ccccc3cc2C(=O)C1=O
InChIInChI=1S/C14H9NO2/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14(12)17/h1-6,15H,7H2/b15-12+
InChIKeyFNTZGTVEEOUOCH-NTCAYCPXSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-imino-4H-anthracene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,10-Phenanthrenedione
CID 6763
2-Acetylnaphthalene
CID 7122
2-Methylanthraquinone
CID 6773
Phenalenone
CID 11050
1,4-Phenanthrenequinone
CID 98574
4,5-Pyrenedione
CID 160814
1,4-Chrysenedione
CID 180933
1,4-Anthraquinone
CID 69457
3-(2-Naphthalenyl)-1-phenyl-2-propen-1-one
CID 5712120
Benzo(a)pyrene-3,6-dione
CID 18301
Benzo(a)pyrene-1,6-dione
CID 18300
Methyl 3-phenanthryl ketone
CID 74867

Frequently Asked Questions

What is the IUPAC name of 3-imino-4H-anthracene-1,2-dione?
The IUPAC name of 3-imino-4H-anthracene-1,2-dione (CID 56621494) is 3-imino-4H-anthracene-1,2-dione.
What is the SMILES notation for 3-imino-4H-anthracene-1,2-dione?
The canonical SMILES for 3-imino-4H-anthracene-1,2-dione is [H]/N=C1\Cc2cc3ccccc3cc2C(=O)C1=O.
What is the InChIKey of 3-imino-4H-anthracene-1,2-dione?
The InChIKey is FNTZGTVEEOUOCH-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H9NO2/c15-12-7-10-5-8-3-1-2-4-9(8)6-11(10)13(16)14(12)17/h1-6,15H,7H2/b15-12+.
What are the key properties of 3-imino-4H-anthracene-1,2-dione?
3-imino-4H-anthracene-1,2-dione has a molecular weight of 223.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4H-anthracene-1,2-dione is sourced from PubChem (CID 56621494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).