1-bicyclo[2.2.1]hept-2-enylmethanimine

C8H11N — CID 88729991

IUPAC1-bicyclo[2.2.1]hept-2-enylmethanimine
SMILES[H]/N=C/C12C=CC(CC1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1,3,6-7,9H,2,4-5H2/b9-6+
InChIKeyBUFMNJNRIDVELG-RMKNXTFCSA-N
MW121.18 g/mol
LogP1.99
Rot. Bonds1

About 1-bicyclo[2.2.1]hept-2-enylmethanimine

1-bicyclo[2.2.1]hept-2-enylmethanimine (PubChem CID 88729991) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethanimine.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethanimine
PubChem CID88729991
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethanimine
SMILES[H]/N=C/C12C=CC(CC1)C2
InChIInChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1,3,6-7,9H,2,4-5H2/b9-6+
InChIKeyBUFMNJNRIDVELG-RMKNXTFCSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethanimine?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethanimine (CID 88729991) is 1-bicyclo[2.2.1]hept-2-enylmethanimine.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethanimine?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethanimine is [H]/N=C/C12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethanimine?
The InChIKey is BUFMNJNRIDVELG-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11N/c9-6-8-3-1-7(5-8)2-4-8/h1,3,6-7,9H,2,4-5H2/b9-6+.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethanimine?
1-bicyclo[2.2.1]hept-2-enylmethanimine has a molecular weight of 121.18 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 1-bicyclo[2.2.1]hept-2-enylmethanimine is sourced from PubChem (CID 88729991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).