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

C10H6N2O4 — CID 135628112

IUPAC(2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione
SMILESO=c1c(=N\O)/c(=N/O)c(=O)c2ccccc12
InChIInChI=1S/C10H6N2O4/c13-9-5-3-1-2-4-6(5)10(14)8(12-16)7(9)11-15/h1-4,15-16H/b11-7-,12-8-
InChIKeyQINKSSGOYPIIMX-OXAWKVHCSA-N
MW218.17 g/mol
LogP-0.98
Rot. Bonds

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

(2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione (PubChem CID 135628112) has the molecular formula C10H6N2O4 and a molecular weight of 218.17 g/mol. Its IUPAC name is (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione.

Molecular Properties

Compound Name(2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione
PubChem CID135628112
Molecular FormulaC10H6N2O4
Molecular Weight218.17 g/mol
Exact Mass218.03
IUPAC Name(2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione
SMILESO=c1c(=N\O)/c(=N/O)c(=O)c2ccccc12
InChIInChI=1S/C10H6N2O4/c13-9-5-3-1-2-4-6(5)10(14)8(12-16)7(9)11-15/h1-4,15-16H/b11-7-,12-8-
InChIKeyQINKSSGOYPIIMX-OXAWKVHCSA-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 (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione?
The IUPAC name of (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione (CID 135628112) is (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione.
What is the SMILES notation for (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione?
The canonical SMILES for (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione is O=c1c(=N\O)/c(=N/O)c(=O)c2ccccc12.
What is the InChIKey of (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione?
The InChIKey is QINKSSGOYPIIMX-OXAWKVHCSA-N. The full InChI is InChI=1S/C10H6N2O4/c13-9-5-3-1-2-4-6(5)10(14)8(12-16)7(9)11-15/h1-4,15-16H/b11-7-,12-8-.
What are the key properties of (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione?
(2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-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 (2Z,3Z)-2,3-bis(hydroxyimino)naphthalene-1,4-dione is sourced from PubChem (CID 135628112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).