2-bicyclo[2.2.1]hept-5-enylmethanimine

C8H11N — CID 18454328

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanimine
SMILES[H]/N=C/C1CC2C=CC1C2
InChIInChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-9H,3-4H2/b9-5+
InChIKeyWQISYYPQQQSGAW-WEVVVXLNSA-N
MW121.18 g/mol
LogP1.85
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enylmethanimine

2-bicyclo[2.2.1]hept-5-enylmethanimine (PubChem CID 18454328) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanimine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanimine
PubChem CID18454328
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanimine
SMILES[H]/N=C/C1CC2C=CC1C2
InChIInChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-9H,3-4H2/b9-5+
InChIKeyWQISYYPQQQSGAW-WEVVVXLNSA-N
XLogP1.85
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 ≤ 51.85
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 2-bicyclo[2.2.1]hept-5-enylmethanimine?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanimine (CID 18454328) is 2-bicyclo[2.2.1]hept-5-enylmethanimine.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanimine?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanimine is [H]/N=C/C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanimine?
The InChIKey is WQISYYPQQQSGAW-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H11N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-9H,3-4H2/b9-5+.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanimine?
2-bicyclo[2.2.1]hept-5-enylmethanimine has a molecular weight of 121.18 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanimine is sourced from PubChem (CID 18454328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).