(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine

C8H9NO — CID 89126520

IUPAC(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N/OC
InChIInChI=1S/C8H9NO/c1-7-5-3-4-6-8(7)9-10-2/h3-6H,1H2,2H3/b9-8-
InChIKeyXHOXLGMUHVIDDW-HJWRWDBZSA-N
MW135.17 g/mol
LogP1.67
Rot. Bonds1

About (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine

(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 89126520) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID89126520
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N/OC
InChIInChI=1S/C8H9NO/c1-7-5-3-4-6-8(7)9-10-2/h3-6H,1H2,2H3/b9-8-
InChIKeyXHOXLGMUHVIDDW-HJWRWDBZSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine (CID 89126520) is (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N/OC.
What is the InChIKey of (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is XHOXLGMUHVIDDW-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H9NO/c1-7-5-3-4-6-8(7)9-10-2/h3-6H,1H2,2H3/b9-8-.
What are the key properties of (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine?
(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 135.17 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 89126520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).