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

C8H11NO — CID 19708078

IUPACN-ethoxycyclohexa-2,5-dien-1-imine
SMILESCCON=C1C=CCC=C1
InChIInChI=1S/C8H11NO/c1-2-10-9-8-6-4-3-5-7-8/h4-7H,2-3H2,1H3
InChIKeyPGYBVRWIGARWTQ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.89
Rot. Bonds2

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

N-ethoxycyclohexa-2,5-dien-1-imine (PubChem CID 19708078) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-ethoxycyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-ethoxycyclohexa-2,5-dien-1-imine
PubChem CID19708078
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-ethoxycyclohexa-2,5-dien-1-imine
SMILESCCON=C1C=CCC=C1
InChIInChI=1S/C8H11NO/c1-2-10-9-8-6-4-3-5-7-8/h4-7H,2-3H2,1H3
InChIKeyPGYBVRWIGARWTQ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of N-ethoxycyclohexa-2,5-dien-1-imine?
The IUPAC name of N-ethoxycyclohexa-2,5-dien-1-imine (CID 19708078) is N-ethoxycyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-ethoxycyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-ethoxycyclohexa-2,5-dien-1-imine is CCON=C1C=CCC=C1.
What is the InChIKey of N-ethoxycyclohexa-2,5-dien-1-imine?
The InChIKey is PGYBVRWIGARWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-10-9-8-6-4-3-5-7-8/h4-7H,2-3H2,1H3.
What are the key properties of N-ethoxycyclohexa-2,5-dien-1-imine?
N-ethoxycyclohexa-2,5-dien-1-imine has a molecular weight of 137.18 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxycyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 19708078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).