N-methoxycyclohexa-2,5-dien-1-imine

C7H9NO — CID 19708088

IUPACN-methoxycyclohexa-2,5-dien-1-imine
SMILESCON=C1C=CCC=C1
InChIInChI=1S/C7H9NO/c1-9-8-7-5-3-2-4-6-7/h3-6H,2H2,1H3
InChIKeyZPYOQVWQPNPXOT-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.50
Rot. Bonds1

About N-methoxycyclohexa-2,5-dien-1-imine

N-methoxycyclohexa-2,5-dien-1-imine (PubChem CID 19708088) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-methoxycyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-methoxycyclohexa-2,5-dien-1-imine
PubChem CID19708088
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-methoxycyclohexa-2,5-dien-1-imine
SMILESCON=C1C=CCC=C1
InChIInChI=1S/C7H9NO/c1-9-8-7-5-3-2-4-6-7/h3-6H,2H2,1H3
InChIKeyZPYOQVWQPNPXOT-UHFFFAOYSA-N
XLogP1.50
TPSA21.59 Ų
H-Bond Donors
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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of N-methoxycyclohexa-2,5-dien-1-imine?
The IUPAC name of N-methoxycyclohexa-2,5-dien-1-imine (CID 19708088) is N-methoxycyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-methoxycyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-methoxycyclohexa-2,5-dien-1-imine is CON=C1C=CCC=C1.
What is the InChIKey of N-methoxycyclohexa-2,5-dien-1-imine?
The InChIKey is ZPYOQVWQPNPXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-9-8-7-5-3-2-4-6-7/h3-6H,2H2,1H3.
What are the key properties of N-methoxycyclohexa-2,5-dien-1-imine?
N-methoxycyclohexa-2,5-dien-1-imine has a molecular weight of 123.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxycyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 19708088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).