2,4-bis(hydroxyimino)naphthalene-1,3-dione

C10H6N2O4 — CID 135478641

IUPAC2,4-bis(hydroxyimino)naphthalene-1,3-dione
SMILESO=c1c(=NO)c(=O)c2ccccc2c1=NO
InChIInChI=1S/C10H6N2O4/c13-9-6-4-2-1-3-5(6)7(11-15)10(14)8(9)12-16/h1-4,15-16H
InChIKeyTVUCGHFNVJEZDY-UHFFFAOYSA-N
MW218.17 g/mol
LogP-0.98
Rot. Bonds

About 2,4-bis(hydroxyimino)naphthalene-1,3-dione

2,4-bis(hydroxyimino)naphthalene-1,3-dione (PubChem CID 135478641) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is 2,4-bis(hydroxyimino)naphthalene-1,3-dione.

Molecular Properties

Compound Name2,4-bis(hydroxyimino)naphthalene-1,3-dione
PubChem CID135478641
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name2,4-bis(hydroxyimino)naphthalene-1,3-dione
SMILESO=c1c(=NO)c(=O)c2ccccc2c1=NO
InChIInChI=1S/C10H6N2O4/c13-9-6-4-2-1-3-5(6)7(11-15)10(14)8(9)12-16/h1-4,15-16H
InChIKeyTVUCGHFNVJEZDY-UHFFFAOYSA-N
XLogP-0.98
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxyimino)naphthalene-1,3-dione?
The IUPAC name of 2,4-bis(hydroxyimino)naphthalene-1,3-dione (CID 135478641) is 2,4-bis(hydroxyimino)naphthalene-1,3-dione.
What is the SMILES notation for 2,4-bis(hydroxyimino)naphthalene-1,3-dione?
The canonical SMILES for 2,4-bis(hydroxyimino)naphthalene-1,3-dione is O=c1c(=NO)c(=O)c2ccccc2c1=NO.
What is the InChIKey of 2,4-bis(hydroxyimino)naphthalene-1,3-dione?
The InChIKey is TVUCGHFNVJEZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-9-6-4-2-1-3-5(6)7(11-15)10(14)8(9)12-16/h1-4,15-16H.
What are the key properties of 2,4-bis(hydroxyimino)naphthalene-1,3-dione?
2,4-bis(hydroxyimino)naphthalene-1,3-dione has a molecular weight of 218.17 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxyimino)naphthalene-1,3-dione is sourced from PubChem (CID 135478641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).