1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine

C8H10ClN — CID 135190400

IUPAC1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1C=C(Cl)C=CC1
InChIInChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2,4-5,7,10H,3H2,1H3/b10-6+
InChIKeyADNBTMDYAJSUCO-UXBLZVDNSA-N
MW155.63 g/mol
LogP2.72
Rot. Bonds1

About 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine

1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine (PubChem CID 135190400) has the molecular formula C8H10ClN and a molecular weight of 155.63 g/mol. Its IUPAC name is 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound Name1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine
PubChem CID135190400
Molecular FormulaC8H10ClN
Molecular Weight155.63 g/mol
Exact Mass155.05
IUPAC Name1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine
SMILES[H]/N=C(\C)C1C=C(Cl)C=CC1
InChIInChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2,4-5,7,10H,3H2,1H3/b10-6+
InChIKeyADNBTMDYAJSUCO-UXBLZVDNSA-N
XLogP2.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.63
LogP ≤ 52.72
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 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine?
The IUPAC name of 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine (CID 135190400) is 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine?
The canonical SMILES for 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine is [H]/N=C(\C)C1C=C(Cl)C=CC1.
What is the InChIKey of 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine?
The InChIKey is ADNBTMDYAJSUCO-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H10ClN/c1-6(10)7-3-2-4-8(9)5-7/h2,4-5,7,10H,3H2,1H3/b10-6+.
What are the key properties of 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine?
1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine has a molecular weight of 155.63 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexa-2,4-dien-1-yl)ethanimine is sourced from PubChem (CID 135190400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).