5-methylidenecyclohex-3-en-1-imine

C7H7N+2 — CID 136901615

IUPAC5-methylidenecyclohex-3-en-1-imine
SMILES[H]/[C+]=C1\C=C[CH+]/C(=N/[H])C1
InChIInChI=1S/C7H7N/c1-6-3-2-4-7(8)5-6/h1-4,8H,5H2/q+2/b8-7-
InChIKeyJFILLTBGVXISFA-FPLPWBNLSA-N
MW105.14 g/mol
LogP1.53
Rot. Bonds

About 5-methylidenecyclohex-3-en-1-imine

5-methylidenecyclohex-3-en-1-imine (PubChem CID 136901615) has the molecular formula C7H7N+2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 5-methylidenecyclohex-3-en-1-imine.

Molecular Properties

Compound Name5-methylidenecyclohex-3-en-1-imine
PubChem CID136901615
Molecular FormulaC7H7N+2
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name5-methylidenecyclohex-3-en-1-imine
SMILES[H]/[C+]=C1\C=C[CH+]/C(=N/[H])C1
InChIInChI=1S/C7H7N/c1-6-3-2-4-7(8)5-6/h1-4,8H,5H2/q+2/b8-7-
InChIKeyJFILLTBGVXISFA-FPLPWBNLSA-N
XLogP1.53
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidenecyclohex-3-en-1-imine?
The IUPAC name of 5-methylidenecyclohex-3-en-1-imine (CID 136901615) is 5-methylidenecyclohex-3-en-1-imine.
What is the SMILES notation for 5-methylidenecyclohex-3-en-1-imine?
The canonical SMILES for 5-methylidenecyclohex-3-en-1-imine is [H]/[C+]=C1\C=C[CH+]/C(=N/[H])C1.
What is the InChIKey of 5-methylidenecyclohex-3-en-1-imine?
The InChIKey is JFILLTBGVXISFA-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H7N/c1-6-3-2-4-7(8)5-6/h1-4,8H,5H2/q+2/b8-7-.
What are the key properties of 5-methylidenecyclohex-3-en-1-imine?
5-methylidenecyclohex-3-en-1-imine has a molecular weight of 105.14 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidenecyclohex-3-en-1-imine is sourced from PubChem (CID 136901615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).