2-methoxy-3-methylcyclohexa-2,4-dien-1-imine

C8H11NO — CID 173301169

IUPAC2-methoxy-3-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\CC=CC(C)=C1OC
InChIInChI=1S/C8H11NO/c1-6-4-3-5-7(9)8(6)10-2/h3-4,9H,5H2,1-2H3/b9-7+
InChIKeyUKPKUSVAYNMWAC-VQHVLOKHSA-N
MW137.18 g/mol
LogP1.89
Rot. Bonds1

About 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine

2-methoxy-3-methylcyclohexa-2,4-dien-1-imine (PubChem CID 173301169) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name2-methoxy-3-methylcyclohexa-2,4-dien-1-imine
PubChem CID173301169
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-methoxy-3-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\CC=CC(C)=C1OC
InChIInChI=1S/C8H11NO/c1-6-4-3-5-7(9)8(6)10-2/h3-4,9H,5H2,1-2H3/b9-7+
InChIKeyUKPKUSVAYNMWAC-VQHVLOKHSA-N
XLogP1.89
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.89
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
(6Z)-6-(fluoromethylidene)-2-methoxy-4-methylcyclohexa-2,4-dien-1-imine
CID 169233924
2-Methoxy-5-methyl benzoquinone diimine
CID 20195267
2-Methoxy-3,5-dimethylcyclohexa-2,5-diene-1,4-diimine
CID 23467541
2-Methoxycyclohexa-2,4-dien-1-imine
CID 68995450
(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
(6E)-6-(1-methoxybuta-2,3-dienylidene)cyclohexa-2,4-dien-1-imine
CID 90261421
(6Z)-6-[(Z)-but-2-enylidene]-2-methoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 117685697
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanimine
CID 123212202
(2Z,5Z)-5-methoxy-6-methylocta-2,5,7-trien-4-imine
CID 123487270

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine (CID 173301169) is 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine is [H]/N=C1\CC=CC(C)=C1OC.
What is the InChIKey of 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is UKPKUSVAYNMWAC-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-4-3-5-7(9)8(6)10-2/h3-4,9H,5H2,1-2H3/b9-7+.
What are the key properties of 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine?
2-methoxy-3-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 173301169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).