2-methylidenecyclohex-3-en-1-imine

C7H9N — CID 89043508

IUPAC2-methylidenecyclohex-3-en-1-imine
SMILES[H]/N=C1\CCC=CC1=C
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2,4,8H,1,3,5H2/b8-7+
InChIKeyXCTRAHIHZLOEFN-BQYQJAHWSA-N
MW107.16 g/mol
LogP1.91
Rot. Bonds

About 2-methylidenecyclohex-3-en-1-imine

2-methylidenecyclohex-3-en-1-imine (PubChem CID 89043508) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 2-methylidenecyclohex-3-en-1-imine.

Molecular Properties

Compound Name2-methylidenecyclohex-3-en-1-imine
PubChem CID89043508
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name2-methylidenecyclohex-3-en-1-imine
SMILES[H]/N=C1\CCC=CC1=C
InChIInChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2,4,8H,1,3,5H2/b8-7+
InChIKeyXCTRAHIHZLOEFN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenecyclohex-3-en-1-imine?
The IUPAC name of 2-methylidenecyclohex-3-en-1-imine (CID 89043508) is 2-methylidenecyclohex-3-en-1-imine.
What is the SMILES notation for 2-methylidenecyclohex-3-en-1-imine?
The canonical SMILES for 2-methylidenecyclohex-3-en-1-imine is [H]/N=C1\CCC=CC1=C.
What is the InChIKey of 2-methylidenecyclohex-3-en-1-imine?
The InChIKey is XCTRAHIHZLOEFN-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2,4,8H,1,3,5H2/b8-7+.
What are the key properties of 2-methylidenecyclohex-3-en-1-imine?
2-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 2-methylidenecyclohex-3-en-1-imine is sourced from PubChem (CID 89043508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).