cyclohex-2-en-1-imine

C6H9N — CID 18766735

IUPACcyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CCCC1
InChIInChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h2,4,7H,1,3,5H2/b7-6-
InChIKeyHKZLNGQCWGVZIW-SREVYHEPSA-N
MW95.14 g/mol
LogP1.75
Rot. Bonds

About cyclohex-2-en-1-imine

cyclohex-2-en-1-imine (PubChem CID 18766735) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is cyclohex-2-en-1-imine.

Molecular Properties

Compound Namecyclohex-2-en-1-imine
PubChem CID18766735
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Namecyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CCCC1
InChIInChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h2,4,7H,1,3,5H2/b7-6-
InChIKeyHKZLNGQCWGVZIW-SREVYHEPSA-N
XLogP1.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.75
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 cyclohex-2-en-1-imine?
The IUPAC name of cyclohex-2-en-1-imine (CID 18766735) is cyclohex-2-en-1-imine.
What is the SMILES notation for cyclohex-2-en-1-imine?
The canonical SMILES for cyclohex-2-en-1-imine is [H]/N=C1/C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-imine?
The InChIKey is HKZLNGQCWGVZIW-SREVYHEPSA-N. The full InChI is InChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h2,4,7H,1,3,5H2/b7-6-.
What are the key properties of cyclohex-2-en-1-imine?
cyclohex-2-en-1-imine has a molecular weight of 95.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-imine is sourced from PubChem (CID 18766735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).