5-chloro-6-methylcyclohexa-2,4-dien-1-imine

C7H8ClN — CID 141368646

IUPAC5-chloro-6-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(Cl)C1C
InChIInChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-5,9H,1H3/b9-7+
InChIKeyHMSHNHAGQCIDLZ-VQHVLOKHSA-N
MW141.60 g/mol
LogP2.33
Rot. Bonds

About 5-chloro-6-methylcyclohexa-2,4-dien-1-imine

5-chloro-6-methylcyclohexa-2,4-dien-1-imine (PubChem CID 141368646) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 5-chloro-6-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name5-chloro-6-methylcyclohexa-2,4-dien-1-imine
PubChem CID141368646
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name5-chloro-6-methylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C(Cl)C1C
InChIInChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-5,9H,1H3/b9-7+
InChIKeyHMSHNHAGQCIDLZ-VQHVLOKHSA-N
XLogP2.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
2-Chloro-6-methylcyclohexa-2,4-dien-1-imine
CID 17962985
2-Chlorocyclohexa-2,4-dien-1-imine
CID 22671008
2-(Chloromethyl)cyclohexa-2,4-dien-1-imine
CID 68905969
2-Chloro-6-methylcyclohexa-2,4-dien-1-imine;cobalt(2+);dichloride
CID 69876365
6,6-Dichloro-4-methylcyclohexa-2,4-dien-1-imine
CID 70121451
(Z)-5-(chloromethyl)hept-3-en-2-imine
CID 123284167
6-Ethyl-2-methylcyclohexa-1,3-diene-1-carboximidoyl chloride
CID 126499579
2-Chloro-1-cyclohexa-2,4-dien-1-ylethanimine
CID 126587146
1-(3-Chlorocyclohexa-2,4-dien-1-yl)ethanimine
CID 135190400
5-Chlorocyclohexa-2,4-dien-1-imine
CID 141270279
(6Z)-2-chloro-6-ethylidenecyclohexa-2,4-dien-1-imine
CID 144279131

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 5-chloro-6-methylcyclohexa-2,4-dien-1-imine (CID 141368646) is 5-chloro-6-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 5-chloro-6-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 5-chloro-6-methylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C(Cl)C1C.
What is the InChIKey of 5-chloro-6-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is HMSHNHAGQCIDLZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-5,9H,1H3/b9-7+.
What are the key properties of 5-chloro-6-methylcyclohexa-2,4-dien-1-imine?
5-chloro-6-methylcyclohexa-2,4-dien-1-imine has a molecular weight of 141.60 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 141368646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).