N-methoxy-5-methylcyclohexa-2,4-dien-1-imine

C8H11NO — CID 173259374

IUPACN-methoxy-5-methylcyclohexa-2,4-dien-1-imine
SMILESCON=C1C=CC=C(C)C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-8(6-7)9-10-2/h3-5H,6H2,1-2H3
InChIKeyBUEZHSBAULOIJA-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.89
Rot. Bonds1

About N-methoxy-5-methylcyclohexa-2,4-dien-1-imine

N-methoxy-5-methylcyclohexa-2,4-dien-1-imine (PubChem CID 173259374) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-methoxy-5-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methoxy-5-methylcyclohexa-2,4-dien-1-imine
PubChem CID173259374
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-methoxy-5-methylcyclohexa-2,4-dien-1-imine
SMILESCON=C1C=CC=C(C)C1
InChIInChI=1S/C8H11NO/c1-7-4-3-5-8(6-7)9-10-2/h3-5H,6H2,1-2H3
InChIKeyBUEZHSBAULOIJA-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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'}

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Related Compounds

5-methylcyclohexa-2,4-dien-1-one
CID 12976806
(E)-N-methoxycyclopent-2-en-1-imine
CID 89026558
5-diazo-1-methylcyclohexa-1,3-diene;hydrochloride
CID 141328980
(5E)-1-methyl-5-prop-2-enylidenecyclohexa-1,3-diene
CID 142094976
5-(dimethoxymethyl)-1-methylcyclohepta-1,3,5-triene
CID 143308938
ethyl 2-(2-fluoroethoxy)-4-methoxyiminocyclohexa-1,5-diene-1-carboxylate
CID 142756194
5-(methoxyiminomethylidene)cyclohexa-1,3-diene-1-carboxylic acid
CID 22500344
5-methylcyclohepta-2,4-diene-1-thione
CID 123689242
2,4-dimethyl-3H-azepine
CID 91195972
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
1-methyl-5-nitrocyclohepta-1,3,5-triene
CID 142233466
ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
CID 145198191

Frequently Asked Questions

What is the IUPAC name of N-methoxy-5-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-methoxy-5-methylcyclohexa-2,4-dien-1-imine (CID 173259374) is N-methoxy-5-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-methoxy-5-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-methoxy-5-methylcyclohexa-2,4-dien-1-imine is CON=C1C=CC=C(C)C1.
What is the InChIKey of N-methoxy-5-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is BUEZHSBAULOIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-4-3-5-8(6-7)9-10-2/h3-5H,6H2,1-2H3.
What are the key properties of N-methoxy-5-methylcyclohexa-2,4-dien-1-imine?
N-methoxy-5-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-5-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 173259374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).