bicyclo[4.2.0]oct-3-en-2-imine

C8H11N — CID 123318932

IUPACbicyclo[4.2.0]oct-3-en-2-imine
SMILES[H]/N=C1\C=CCC2CCC12
InChIInChI=1S/C8H11N/c9-8-3-1-2-6-4-5-7(6)8/h1,3,6-7,9H,2,4-5H2/b9-8+
InChIKeyHYOHPJKOICVBNY-CMDGGOBGSA-N
MW121.18 g/mol
LogP1.99
Rot. Bonds

About bicyclo[4.2.0]oct-3-en-2-imine

bicyclo[4.2.0]oct-3-en-2-imine (PubChem CID 123318932) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is bicyclo[4.2.0]oct-3-en-2-imine.

Molecular Properties

Compound Namebicyclo[4.2.0]oct-3-en-2-imine
PubChem CID123318932
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Namebicyclo[4.2.0]oct-3-en-2-imine
SMILES[H]/N=C1\C=CCC2CCC12
InChIInChI=1S/C8H11N/c9-8-3-1-2-6-4-5-7(6)8/h1,3,6-7,9H,2,4-5H2/b9-8+
InChIKeyHYOHPJKOICVBNY-CMDGGOBGSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.99
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 bicyclo[4.2.0]oct-3-en-2-imine?
The IUPAC name of bicyclo[4.2.0]oct-3-en-2-imine (CID 123318932) is bicyclo[4.2.0]oct-3-en-2-imine.
What is the SMILES notation for bicyclo[4.2.0]oct-3-en-2-imine?
The canonical SMILES for bicyclo[4.2.0]oct-3-en-2-imine is [H]/N=C1\C=CCC2CCC12.
What is the InChIKey of bicyclo[4.2.0]oct-3-en-2-imine?
The InChIKey is HYOHPJKOICVBNY-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c9-8-3-1-2-6-4-5-7(6)8/h1,3,6-7,9H,2,4-5H2/b9-8+.
What are the key properties of bicyclo[4.2.0]oct-3-en-2-imine?
bicyclo[4.2.0]oct-3-en-2-imine has a molecular weight of 121.18 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]oct-3-en-2-imine is sourced from PubChem (CID 123318932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).