N-(methoxymethyl)cyclohexa-2,4-dien-1-imine

C8H11NO — CID 141123676

IUPACN-(methoxymethyl)cyclohexa-2,4-dien-1-imine
SMILESCOCN=C1C=CC=CC1
InChIInChI=1S/C8H11NO/c1-10-7-9-8-5-3-2-4-6-8/h2-5H,6-7H2,1H3
InChIKeyMAYJAUDPSGAOQK-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.55
Rot. Bonds2

About N-(methoxymethyl)cyclohexa-2,4-dien-1-imine

N-(methoxymethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 141123676) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-(methoxymethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(methoxymethyl)cyclohexa-2,4-dien-1-imine
PubChem CID141123676
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-(methoxymethyl)cyclohexa-2,4-dien-1-imine
SMILESCOCN=C1C=CC=CC1
InChIInChI=1S/C8H11NO/c1-10-7-9-8-5-3-2-4-6-8/h2-5H,6-7H2,1H3
InChIKeyMAYJAUDPSGAOQK-UHFFFAOYSA-N
XLogP1.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(methoxymethyl)cyclohexa-2,4-dien-1-imine (CID 141123676) is N-(methoxymethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(methoxymethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(methoxymethyl)cyclohexa-2,4-dien-1-imine is COCN=C1C=CC=CC1.
What is the InChIKey of N-(methoxymethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is MAYJAUDPSGAOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-7-9-8-5-3-2-4-6-8/h2-5H,6-7H2,1H3.
What are the key properties of N-(methoxymethyl)cyclohexa-2,4-dien-1-imine?
N-(methoxymethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141123676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).