3,4-diiminoacenaphthylene-1,2-dione

C12H6N2O2 — CID 166611148

IUPAC3,4-diiminoacenaphthylene-1,2-dione
SMILES[H]/N=C1/C2=c3c(cccc3=C/C1=N\[H])C(=O)C2=O
InChIInChI=1S/C12H6N2O2/c13-7-4-5-2-1-3-6-8(5)9(10(7)14)12(16)11(6)15/h1-4,13-14H/b13-7+,14-10+
InChIKeyAJWBINJUCOFFLK-SEWRKBRGSA-N
MW210.19 g/mol
LogP-0.56
Rot. Bonds

About 3,4-diiminoacenaphthylene-1,2-dione

3,4-diiminoacenaphthylene-1,2-dione (PubChem CID 166611148) has the molecular formula C12H6N2O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3,4-diiminoacenaphthylene-1,2-dione.

Molecular Properties

Compound Name3,4-diiminoacenaphthylene-1,2-dione
PubChem CID166611148
Molecular FormulaC12H6N2O2
Molecular Weight210.19 g/mol
Exact Mass210.04
IUPAC Name3,4-diiminoacenaphthylene-1,2-dione
SMILES[H]/N=C1/C2=c3c(cccc3=C/C1=N\[H])C(=O)C2=O
InChIInChI=1S/C12H6N2O2/c13-7-4-5-2-1-3-6-8(5)9(10(7)14)12(16)11(6)15/h1-4,13-14H/b13-7+,14-10+
InChIKeyAJWBINJUCOFFLK-SEWRKBRGSA-N
XLogP-0.56
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diiminoacenaphthylene-1,2-dione?
The IUPAC name of 3,4-diiminoacenaphthylene-1,2-dione (CID 166611148) is 3,4-diiminoacenaphthylene-1,2-dione.
What is the SMILES notation for 3,4-diiminoacenaphthylene-1,2-dione?
The canonical SMILES for 3,4-diiminoacenaphthylene-1,2-dione is [H]/N=C1/C2=c3c(cccc3=C/C1=N\[H])C(=O)C2=O.
What is the InChIKey of 3,4-diiminoacenaphthylene-1,2-dione?
The InChIKey is AJWBINJUCOFFLK-SEWRKBRGSA-N. The full InChI is InChI=1S/C12H6N2O2/c13-7-4-5-2-1-3-6-8(5)9(10(7)14)12(16)11(6)15/h1-4,13-14H/b13-7+,14-10+.
What are the key properties of 3,4-diiminoacenaphthylene-1,2-dione?
3,4-diiminoacenaphthylene-1,2-dione has a molecular weight of 210.19 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiminoacenaphthylene-1,2-dione is sourced from PubChem (CID 166611148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).