1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine

C8H10N2O2 — CID 87328335

IUPAC1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine
SMILESCON=C1C=CC=CC1=NOC
InChIInChI=1S/C8H10N2O2/c1-11-9-7-5-3-4-6-8(7)10-12-2/h3-6H,1-2H3
InChIKeyQLKMPZJGTWXIHC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.12
Rot. Bonds2

About 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine

1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine (PubChem CID 87328335) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine
PubChem CID87328335
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine
SMILESCON=C1C=CC=CC1=NOC
InChIInChI=1S/C8H10N2O2/c1-11-9-7-5-3-4-6-8(7)10-12-2/h3-6H,1-2H3
InChIKeyQLKMPZJGTWXIHC-UHFFFAOYSA-N
XLogP1.12
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_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 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine (CID 87328335) is 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine is CON=C1C=CC=CC1=NOC.
What is the InChIKey of 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine?
The InChIKey is QLKMPZJGTWXIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-11-9-7-5-3-4-6-8(7)10-12-2/h3-6H,1-2H3.
What are the key properties of 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine?
1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine has a molecular weight of 166.18 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 87328335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).