(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide

C7H8N2O2 — CID 163137962

IUPAC(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide
SMILESCOC1=CC(=O)C=CC1[NH+]=[N-]
InChIInChI=1S/C7H8N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4,6,9H,1H3
InChIKeyIRQORCLDZBTRNQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.87
Rot. Bonds2

About (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide

(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide (PubChem CID 163137962) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide.

Molecular Properties

Compound Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide
PubChem CID163137962
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide
SMILESCOC1=CC(=O)C=CC1[NH+]=[N-]
InChIInChI=1S/C7H8N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4,6,9H,1H3
InChIKeyIRQORCLDZBTRNQ-UHFFFAOYSA-N
XLogP-0.87
TPSA62.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide?
The IUPAC name of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide (CID 163137962) is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide.
What is the SMILES notation for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide?
The canonical SMILES for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide is COC1=CC(=O)C=CC1[NH+]=[N-].
What is the InChIKey of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide?
The InChIKey is IRQORCLDZBTRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4,6,9H,1H3.
What are the key properties of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide?
(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide has a molecular weight of 152.15 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)azaniumylideneazanide is sourced from PubChem (CID 163137962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).