6-ethylidenecyclohexa-2,4-dien-1-imine

C8H9N — CID 67490002

IUPAC6-ethylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=CC
InChIInChI=1S/C8H9N/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H3/b7-2?,9-8+
InChIKeyMJTDHNUIAROFCC-PWFPLYAPSA-N
MW119.17 g/mol
LogP2.08
Rot. Bonds

About 6-ethylidenecyclohexa-2,4-dien-1-imine

6-ethylidenecyclohexa-2,4-dien-1-imine (PubChem CID 67490002) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 6-ethylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-ethylidenecyclohexa-2,4-dien-1-imine
PubChem CID67490002
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name6-ethylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=CC
InChIInChI=1S/C8H9N/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H3/b7-2?,9-8+
InChIKeyMJTDHNUIAROFCC-PWFPLYAPSA-N
XLogP2.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-ethylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-ethylidenecyclohexa-2,4-dien-1-imine (CID 67490002) is 6-ethylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-ethylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-ethylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1=CC.
What is the InChIKey of 6-ethylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is MJTDHNUIAROFCC-PWFPLYAPSA-N. The full InChI is InChI=1S/C8H9N/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H3/b7-2?,9-8+.
What are the key properties of 6-ethylidenecyclohexa-2,4-dien-1-imine?
6-ethylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 119.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 67490002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).