2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine

C8H10N2O2 — CID 54361792

IUPAC2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine
SMILES[H]N=C1C=C(OC)C(=N[H])C(OC)=C1
InChIInChI=1S/C8H10N2O2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3/b9-5-,10-8+
InChIKeyUNAHIOROHUDVKO-APQBBXBWSA-N
MW166.18 g/mol
LogP1.10
Rot. Bonds2

About 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine

2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine (PubChem CID 54361792) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine
PubChem CID54361792
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine
SMILES[H]N=C1C=C(OC)C(=N[H])C(OC)=C1
InChIInChI=1S/C8H10N2O2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3/b9-5-,10-8+
InChIKeyUNAHIOROHUDVKO-APQBBXBWSA-N
XLogP1.10
TPSA66.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethoxy-5,6-dioxocyclohexa-1,3-diene-1-carbaldehyde
CID 101141525
5,8-dihydroxy-4-imino-3-methoxynaphthalen-1-one
CID 135678056
(4E)-4-(4-imino-3-methoxycyclohexa-2,5-dien-1-ylidene)-2-methoxycyclohexa-2,5-dien-1-imine
CID 11665908
2,6-dimethoxycyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 172805370
(5E,6E)-5,6-di(ethylidene)-4-methoxycyclohex-3-ene-1,2-dione
CID 89131286
6-imino-3,4-dimethoxycyclohexa-2,4-diene-1-thione
CID 101233754
4-methoxycyclopent-4-ene-1,3-dione
CID 12695576
2-methoxy-5-prop-2-enylcyclohexa-2,5-diene-1,4-dione
CID 5314861
2-methoxy-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 23467541
6-methoxycyclohex-5-ene-1,2,4-trione
CID 123691379
2,3,4,6-tetramethoxybicyclo[3.2.1]octa-1(8),2,4,6-tetraene
CID 175080789
4-methoxy-5-methylidenefuran-2-one
CID 11147716

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine (CID 54361792) is 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine is [H]N=C1C=C(OC)C(=N[H])C(OC)=C1.
What is the InChIKey of 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine?
The InChIKey is UNAHIOROHUDVKO-APQBBXBWSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4,9-10H,1-2H3/b9-5-,10-8+.
What are the key properties of 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine?
2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine has a molecular weight of 166.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxycyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 54361792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).