2-methoxycyclohexa-2,4-dien-1-imine

C7H9NO — CID 68995450

IUPAC2-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\CC=CC=C1OC
InChIInChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-3,5,8H,4H2,1H3/b8-6+
InChIKeyUMLCZOCXPGLPPR-SOFGYWHQSA-N
MW123.15 g/mol
LogP1.50
Rot. Bonds1

About 2-methoxycyclohexa-2,4-dien-1-imine

2-methoxycyclohexa-2,4-dien-1-imine (PubChem CID 68995450) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-methoxycyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name2-methoxycyclohexa-2,4-dien-1-imine
PubChem CID68995450
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name2-methoxycyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\CC=CC=C1OC
InChIInChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-3,5,8H,4H2,1H3/b8-6+
InChIKeyUMLCZOCXPGLPPR-SOFGYWHQSA-N
XLogP1.50
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-[(Z)-but-2-enylidene]-5-fluoro-2-methoxycyclohexa-2,4-dien-1-imine
CID 118357356
2-Methoxycyclohepta-2,4,6-trien-1-imine
CID 10986283
4-Methoxycyclohexa-2,4-dien-1-imine
CID 22321529
6-Diazo-1-methoxycyclohexa-1,3-diene
CID 54098263
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 89553367
(6Z)-2-methoxy-6-(3-methylbut-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 89693604
(6Z)-6-[(E)-but-2-enylidene]-2-methoxycyclohexa-2,4-dien-1-imine
CID 90160314
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
(E)-5-methoxyoct-4-en-3-imine
CID 91483796
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
(E)-5-methoxy-3-methylidenehex-4-en-2-imine
CID 123829590
N-(5-methoxycyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 140981931

Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohexa-2,4-dien-1-imine?
The IUPAC name of 2-methoxycyclohexa-2,4-dien-1-imine (CID 68995450) is 2-methoxycyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 2-methoxycyclohexa-2,4-dien-1-imine?
The canonical SMILES for 2-methoxycyclohexa-2,4-dien-1-imine is [H]/N=C1\CC=CC=C1OC.
What is the InChIKey of 2-methoxycyclohexa-2,4-dien-1-imine?
The InChIKey is UMLCZOCXPGLPPR-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9NO/c1-9-7-5-3-2-4-6(7)8/h2-3,5,8H,4H2,1H3/b8-6+.
What are the key properties of 2-methoxycyclohexa-2,4-dien-1-imine?
2-methoxycyclohexa-2,4-dien-1-imine has a molecular weight of 123.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 68995450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).