(3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine

C9H12N2 — CID 23374719

IUPAC(3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine
SMILES[H]/N=C/C1C2C=CC(C2)C1/C=N/[H]
InChIInChI=1S/C9H12N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,4-11H,3H2/b10-4+,11-5+
InChIKeyGGBFIQHTXVPOMU-ZVSIBQGLSA-N
MW148.21 g/mol
LogP1.72
Rot. Bonds2

About (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine

(3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine (PubChem CID 23374719) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine.

Molecular Properties

Compound Name(3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine
PubChem CID23374719
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine
SMILES[H]/N=C/C1C2C=CC(C2)C1/C=N/[H]
InChIInChI=1S/C9H12N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,4-11H,3H2/b10-4+,11-5+
InChIKeyGGBFIQHTXVPOMU-ZVSIBQGLSA-N
XLogP1.72
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine?
The IUPAC name of (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine (CID 23374719) is (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine.
What is the SMILES notation for (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine?
The canonical SMILES for (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine is [H]/N=C/C1C2C=CC(C2)C1/C=N/[H].
What is the InChIKey of (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine?
The InChIKey is GGBFIQHTXVPOMU-ZVSIBQGLSA-N. The full InChI is InChI=1S/C9H12N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,4-11H,3H2/b10-4+,11-5+.
What are the key properties of (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine?
(3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine has a molecular weight of 148.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methanimidoyl-2-bicyclo[2.2.1]hept-5-enyl)methanimine is sourced from PubChem (CID 23374719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).