6-methylidenecyclohex-3-en-1-imine

C7H9N — CID 57232803

IUPAC6-methylidenecyclohex-3-en-1-imine
SMILES[H]/N=C1\CC=CCC1=C
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-3,8H,1,4-5H2/b8-7+
InChIKeyCDCIYJVEFTUKOO-BQYQJAHWSA-N
MW107.16 g/mol
LogP1.91
Rot. Bonds

About 6-methylidenecyclohex-3-en-1-imine

6-methylidenecyclohex-3-en-1-imine (PubChem CID 57232803) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 6-methylidenecyclohex-3-en-1-imine.

Molecular Properties

Compound Name6-methylidenecyclohex-3-en-1-imine
PubChem CID57232803
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name6-methylidenecyclohex-3-en-1-imine
SMILES[H]/N=C1\CC=CCC1=C
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-3,8H,1,4-5H2/b8-7+
InChIKeyCDCIYJVEFTUKOO-BQYQJAHWSA-N
XLogP1.91
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.91
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 6-methylidenecyclohex-3-en-1-imine?
The IUPAC name of 6-methylidenecyclohex-3-en-1-imine (CID 57232803) is 6-methylidenecyclohex-3-en-1-imine.
What is the SMILES notation for 6-methylidenecyclohex-3-en-1-imine?
The canonical SMILES for 6-methylidenecyclohex-3-en-1-imine is [H]/N=C1\CC=CCC1=C.
What is the InChIKey of 6-methylidenecyclohex-3-en-1-imine?
The InChIKey is CDCIYJVEFTUKOO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-3,8H,1,4-5H2/b8-7+.
What are the key properties of 6-methylidenecyclohex-3-en-1-imine?
6-methylidenecyclohex-3-en-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidenecyclohex-3-en-1-imine is sourced from PubChem (CID 57232803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).