2,4-dichloro-N-methylcyclohex-3-en-1-imine

C7H9Cl2N — CID 130256600

IUPAC2,4-dichloro-N-methylcyclohex-3-en-1-imine
SMILESC/N=C1\CCC(Cl)=CC1Cl
InChIInChI=1S/C7H9Cl2N/c1-10-7-3-2-5(8)4-6(7)9/h4,6H,2-3H2,1H3/b10-7+
InChIKeyRXUODDAHHMZKBA-JXMROGBWSA-N
MW178.06 g/mol
LogP2.58
Rot. Bonds

About 2,4-dichloro-N-methylcyclohex-3-en-1-imine

2,4-dichloro-N-methylcyclohex-3-en-1-imine (PubChem CID 130256600) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is 2,4-dichloro-N-methylcyclohex-3-en-1-imine.

Molecular Properties

Compound Name2,4-dichloro-N-methylcyclohex-3-en-1-imine
PubChem CID130256600
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name2,4-dichloro-N-methylcyclohex-3-en-1-imine
SMILESC/N=C1\CCC(Cl)=CC1Cl
InChIInChI=1S/C7H9Cl2N/c1-10-7-3-2-5(8)4-6(7)9/h4,6H,2-3H2,1H3/b10-7+
InChIKeyRXUODDAHHMZKBA-JXMROGBWSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.58
H-Bond Donors ≤ 50
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 2,4-dichloro-N-methylcyclohex-3-en-1-imine?
The IUPAC name of 2,4-dichloro-N-methylcyclohex-3-en-1-imine (CID 130256600) is 2,4-dichloro-N-methylcyclohex-3-en-1-imine.
What is the SMILES notation for 2,4-dichloro-N-methylcyclohex-3-en-1-imine?
The canonical SMILES for 2,4-dichloro-N-methylcyclohex-3-en-1-imine is C/N=C1\CCC(Cl)=CC1Cl.
What is the InChIKey of 2,4-dichloro-N-methylcyclohex-3-en-1-imine?
The InChIKey is RXUODDAHHMZKBA-JXMROGBWSA-N. The full InChI is InChI=1S/C7H9Cl2N/c1-10-7-3-2-5(8)4-6(7)9/h4,6H,2-3H2,1H3/b10-7+.
What are the key properties of 2,4-dichloro-N-methylcyclohex-3-en-1-imine?
2,4-dichloro-N-methylcyclohex-3-en-1-imine has a molecular weight of 178.06 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methylcyclohex-3-en-1-imine is sourced from PubChem (CID 130256600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).