N,6-dichloro-5-methylidenecyclohex-2-en-1-imine

C7H7Cl2N — CID 57167815

IUPACN,6-dichloro-5-methylidenecyclohex-2-en-1-imine
SMILESC=C1CC=CC(=NCl)C1Cl
InChIInChI=1S/C7H7Cl2N/c1-5-3-2-4-6(10-9)7(5)8/h2,4,7H,1,3H2
InChIKeyWHFMCYIQHMQIDL-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.70
Rot. Bonds

About N,6-dichloro-5-methylidenecyclohex-2-en-1-imine

N,6-dichloro-5-methylidenecyclohex-2-en-1-imine (PubChem CID 57167815) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is N,6-dichloro-5-methylidenecyclohex-2-en-1-imine.

Molecular Properties

Compound NameN,6-dichloro-5-methylidenecyclohex-2-en-1-imine
PubChem CID57167815
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC NameN,6-dichloro-5-methylidenecyclohex-2-en-1-imine
SMILESC=C1CC=CC(=NCl)C1Cl
InChIInChI=1S/C7H7Cl2N/c1-5-3-2-4-6(10-9)7(5)8/h2,4,7H,1,3H2
InChIKeyWHFMCYIQHMQIDL-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 52.70
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2,6-Bis(chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
CID 11769270
[2-(Chloromethyl)cyclohexa-2,5-dien-1-ylidene]azanide
CID 101120030
2-(Chloromethyl)cyclohexa-2,4-dien-1-imine
CID 101120031

Frequently Asked Questions

What is the IUPAC name of N,6-dichloro-5-methylidenecyclohex-2-en-1-imine?
The IUPAC name of N,6-dichloro-5-methylidenecyclohex-2-en-1-imine (CID 57167815) is N,6-dichloro-5-methylidenecyclohex-2-en-1-imine.
What is the SMILES notation for N,6-dichloro-5-methylidenecyclohex-2-en-1-imine?
The canonical SMILES for N,6-dichloro-5-methylidenecyclohex-2-en-1-imine is C=C1CC=CC(=NCl)C1Cl.
What is the InChIKey of N,6-dichloro-5-methylidenecyclohex-2-en-1-imine?
The InChIKey is WHFMCYIQHMQIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c1-5-3-2-4-6(10-9)7(5)8/h2,4,7H,1,3H2.
What are the key properties of N,6-dichloro-5-methylidenecyclohex-2-en-1-imine?
N,6-dichloro-5-methylidenecyclohex-2-en-1-imine has a molecular weight of 176.05 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dichloro-5-methylidenecyclohex-2-en-1-imine is sourced from PubChem (CID 57167815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).