4-chlorocyclohex-2-en-1-imine

C6H8ClN — CID 123430240

IUPAC4-chlorocyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(Cl)CC1
InChIInChI=1S/C6H8ClN/c7-5-1-3-6(8)4-2-5/h1,3,5,8H,2,4H2/b8-6-
InChIKeyBXYCBWVTHMRQQQ-VURMDHGXSA-N
MW129.59 g/mol
LogP1.96
Rot. Bonds

About 4-chlorocyclohex-2-en-1-imine

4-chlorocyclohex-2-en-1-imine (PubChem CID 123430240) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 4-chlorocyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-chlorocyclohex-2-en-1-imine
PubChem CID123430240
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name4-chlorocyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(Cl)CC1
InChIInChI=1S/C6H8ClN/c7-5-1-3-6(8)4-2-5/h1,3,5,8H,2,4H2/b8-6-
InChIKeyBXYCBWVTHMRQQQ-VURMDHGXSA-N
XLogP1.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.96
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 4-chlorocyclohex-2-en-1-imine?
The IUPAC name of 4-chlorocyclohex-2-en-1-imine (CID 123430240) is 4-chlorocyclohex-2-en-1-imine.
What is the SMILES notation for 4-chlorocyclohex-2-en-1-imine?
The canonical SMILES for 4-chlorocyclohex-2-en-1-imine is [H]/N=C1/C=CC(Cl)CC1.
What is the InChIKey of 4-chlorocyclohex-2-en-1-imine?
The InChIKey is BXYCBWVTHMRQQQ-VURMDHGXSA-N. The full InChI is InChI=1S/C6H8ClN/c7-5-1-3-6(8)4-2-5/h1,3,5,8H,2,4H2/b8-6-.
What are the key properties of 4-chlorocyclohex-2-en-1-imine?
4-chlorocyclohex-2-en-1-imine has a molecular weight of 129.59 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorocyclohex-2-en-1-imine is sourced from PubChem (CID 123430240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).