5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione

C10H6N2O4 — CID 137177307

IUPAC5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione
SMILES[H]/N=c1\c(=O)c2c(O)ccc(O)c2c(=O)\c1=N\[H]
InChIInChI=1S/C10H6N2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,11-14H/b11-7-,12-8+
InChIKeyLCRWAMKYRDFZLJ-NTLHZVPKSA-N
MW218.17 g/mol
LogP-1.19
Rot. Bonds

About 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione

5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione (PubChem CID 137177307) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione.

Molecular Properties

Compound Name5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione
PubChem CID137177307
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione
SMILES[H]/N=c1\c(=O)c2c(O)ccc(O)c2c(=O)\c1=N\[H]
InChIInChI=1S/C10H6N2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,11-14H/b11-7-,12-8+
InChIKeyLCRWAMKYRDFZLJ-NTLHZVPKSA-N
XLogP-1.19
TPSA122.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

Naphthazarin
CID 10141
2,8-Dihydroxy-1,4-naphthoquinone
CID 440226
Methylnaphthazarin
CID 271296
5-Hydroxy-2,3-dihydronaphthalene-1,4-dione
CID 237108
Naphthopurpurin
CID 376951
2,3,5,8-Tetrahydroxy-1,4-naphthoquinone
CID 135543374
5,8-Dihydroxy-3,4-dihydro-1(2H)-naphthalenone
CID 357437
Gadbcxpezfevon-uhfffaoysa-
CID 135460765
2-Amino-5,8-dihydroxy-1,4-naphthoquinone
CID 377209
5,8-Dihydroxy-2,3-dihydronaphthalene-1,4-dione
CID 10965344
1,5-Dihydroxy-3-imino-4-oxonaphthalene-2-carboxamide
CID 168281230
(4S)-4,5,8-trihydroxytetralone
CID 46239261

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione?
The IUPAC name of 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione (CID 137177307) is 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione.
What is the SMILES notation for 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione?
The canonical SMILES for 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione is [H]/N=c1\c(=O)c2c(O)ccc(O)c2c(=O)\c1=N\[H].
What is the InChIKey of 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione?
The InChIKey is LCRWAMKYRDFZLJ-NTLHZVPKSA-N. The full InChI is InChI=1S/C10H6N2O4/c11-7-8(12)10(16)6-4(14)2-1-3(13)5(6)9(7)15/h1-2,11-14H/b11-7-,12-8+.
What are the key properties of 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione?
5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione has a molecular weight of 218.17 g/mol, XLogP of -1.19, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-2,3-diiminonaphthalene-1,4-dione is sourced from PubChem (CID 137177307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).