cyclohex-3-en-1-ylmethanimine

C7H11N — CID 57306453

IUPACcyclohex-3-en-1-ylmethanimine
SMILES[H]/N=C/C1CC=CCC1
InChIInChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h1-2,6-8H,3-5H2/b8-6+
InChIKeyVLRYLKCEVOHECL-SOFGYWHQSA-N
MW109.17 g/mol
LogP1.99
Rot. Bonds1

About cyclohex-3-en-1-ylmethanimine

cyclohex-3-en-1-ylmethanimine (PubChem CID 57306453) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is cyclohex-3-en-1-ylmethanimine.

Molecular Properties

Compound Namecyclohex-3-en-1-ylmethanimine
PubChem CID57306453
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Namecyclohex-3-en-1-ylmethanimine
SMILES[H]/N=C/C1CC=CCC1
InChIInChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h1-2,6-8H,3-5H2/b8-6+
InChIKeyVLRYLKCEVOHECL-SOFGYWHQSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-ylmethanimine?
The IUPAC name of cyclohex-3-en-1-ylmethanimine (CID 57306453) is cyclohex-3-en-1-ylmethanimine.
What is the SMILES notation for cyclohex-3-en-1-ylmethanimine?
The canonical SMILES for cyclohex-3-en-1-ylmethanimine is [H]/N=C/C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-ylmethanimine?
The InChIKey is VLRYLKCEVOHECL-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h1-2,6-8H,3-5H2/b8-6+.
What are the key properties of cyclohex-3-en-1-ylmethanimine?
cyclohex-3-en-1-ylmethanimine has a molecular weight of 109.17 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-ylmethanimine is sourced from PubChem (CID 57306453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).