(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine

C8H8ClN — CID 170120063

IUPAC(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(Cl)\C1=C\C
InChIInChI=1S/C8H8ClN/c1-2-6-7(9)4-3-5-8(6)10/h2-5,10H,1H3/b6-2-,10-8+
InChIKeyFJMMEYRQKKRISF-KYOSBSMGSA-N
MW153.61 g/mol
LogP2.64
Rot. Bonds

About (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine

(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine (PubChem CID 170120063) has the molecular formula C8H8ClN and a molecular weight of 153.61 g/mol. Its IUPAC name is (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine
PubChem CID170120063
Molecular FormulaC8H8ClN
Molecular Weight153.61 g/mol
Exact Mass153.03
IUPAC Name(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(Cl)\C1=C\C
InChIInChI=1S/C8H8ClN/c1-2-6-7(9)4-3-5-8(6)10/h2-5,10H,1H3/b6-2-,10-8+
InChIKeyFJMMEYRQKKRISF-KYOSBSMGSA-N
XLogP2.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 52.64
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 (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine (CID 170120063) is (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C(Cl)\C1=C\C.
What is the InChIKey of (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is FJMMEYRQKKRISF-KYOSBSMGSA-N. The full InChI is InChI=1S/C8H8ClN/c1-2-6-7(9)4-3-5-8(6)10/h2-5,10H,1H3/b6-2-,10-8+.
What are the key properties of (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine?
(6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 153.61 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 170120063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).