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

C7H7N2O2- — CID 163137963

IUPAC(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide
SMILESCOC1=CC(=O)C=CC1N=[N-]
InChIInChI=1S/C7H7N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4,6H,1H3/q-1
InChIKeyODKVIOWOZFNMEO-UHFFFAOYSA-N
MW151.14 g/mol
LogP1.05
Rot. Bonds2

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

(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide (PubChem CID 163137963) has the molecular formula C7H7N2O2- and a molecular weight of 151.14 g/mol. Its IUPAC name is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide.

Molecular Properties

Compound Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide
PubChem CID163137963
Molecular FormulaC7H7N2O2-
Molecular Weight151.14 g/mol
Exact Mass151.05
IUPAC Name(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide
SMILESCOC1=CC(=O)C=CC1N=[N-]
InChIInChI=1S/C7H7N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4,6H,1H3/q-1
InChIKeyODKVIOWOZFNMEO-UHFFFAOYSA-N
XLogP1.05
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)iminoazanide?
The IUPAC name of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide (CID 163137963) is (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide.
What is the SMILES notation for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide?
The canonical SMILES for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide is COC1=CC(=O)C=CC1N=[N-].
What is the InChIKey of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide?
The InChIKey is ODKVIOWOZFNMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O2/c1-11-7-4-5(10)2-3-6(7)9-8/h2-4,6H,1H3/q-1.
What are the key properties of (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide?
(2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide has a molecular weight of 151.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-oxocyclohexa-2,5-dien-1-yl)iminoazanide is sourced from PubChem (CID 163137963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).