2-methoxy-N-methylcyclohexa-2,5-dien-1-imine

C8H11NO — CID 143182598

IUPAC2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
SMILESC/N=C1\C=CCC=C1OC
InChIInChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3,5-6H,4H2,1-2H3/b9-7+
InChIKeyFFEUUAKFXJGMQA-VQHVLOKHSA-N
MW137.18 g/mol
LogP1.55
Rot. Bonds1

About 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine

2-methoxy-N-methylcyclohexa-2,5-dien-1-imine (PubChem CID 143182598) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Name2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
PubChem CID143182598
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
SMILESC/N=C1\C=CCC=C1OC
InChIInChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3,5-6H,4H2,1-2H3/b9-7+
InChIKeyFFEUUAKFXJGMQA-VQHVLOKHSA-N
XLogP1.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

InChI=1/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+
CID 5325147
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
4,6-dimethyl-2H-1,3-oxazine
CID 59189020
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(E)-3-methoxy-2-N-methylhex-3-ene-2,5-diimine
CID 89591064
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
3-methoxy-7-methyl-4H-azepine
CID 129196414
6-Ethenyl-5-methoxy-2,3-dihydropyridine
CID 140784052
6-Ethenyl-4,5-dimethoxy-2,3-dihydropyridine
CID 140784054
CID 141767904
CID 141767904
(Z)-1-methoxy-N-methylhex-3-en-2-imine
CID 142059261

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
The IUPAC name of 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine (CID 143182598) is 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine is C/N=C1\C=CCC=C1OC.
What is the InChIKey of 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
The InChIKey is FFEUUAKFXJGMQA-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-7-5-3-4-6-8(7)10-2/h3,5-6H,4H2,1-2H3/b9-7+.
What are the key properties of 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine?
2-methoxy-N-methylcyclohexa-2,5-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 143182598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).