2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine

C8H10ClN — CID 126587146

IUPAC2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine
SMILES[H]/N=C(\CCl)C1C=CC=CC1
InChIInChI=1S/C8H10ClN/c9-6-8(10)7-4-2-1-3-5-7/h1-4,7,10H,5-6H2/b10-8+
InChIKeyYGAXONXBHODQCQ-CSKARUKUSA-N
MW155.63 g/mol
LogP2.38
Rot. Bonds2

About 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine

2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine (PubChem CID 126587146) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine.

Molecular Properties

Compound Name2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine
PubChem CID126587146
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine
SMILES[H]/N=C(\CCl)C1C=CC=CC1
InChIInChI=1S/C8H10ClN/c9-6-8(10)7-4-2-1-3-5-7/h1-4,7,10H,5-6H2/b10-8+
InChIKeyYGAXONXBHODQCQ-CSKARUKUSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine?
The IUPAC name of 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine (CID 126587146) is 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine.
What is the SMILES notation for 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine?
The canonical SMILES for 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine is [H]/N=C(\CCl)C1C=CC=CC1.
What is the InChIKey of 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine?
The InChIKey is YGAXONXBHODQCQ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H10ClN/c9-6-8(10)7-4-2-1-3-5-7/h1-4,7,10H,5-6H2/b10-8+.
What are the key properties of 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine?
2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine has a molecular weight of 155.63 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-cyclohexa-2,4-dien-1-ylethanimine is sourced from PubChem (CID 126587146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).