1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine

C10H11N — CID 59971453

IUPAC1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine
SMILESC#C/N=C/[C@@H]1CC2C=CC1C2
InChIInChI=1S/C10H11N/c1-2-11-7-10-6-8-3-4-9(10)5-8/h1,3-4,7-10H,5-6H2/b11-7+/t8?,9?,10-/m0/s1
InChIKeyXONFEJYFRACNQK-URCLRTTJSA-N
MW145.20 g/mol
LogP1.86
Rot. Bonds1

About 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine

1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine (PubChem CID 59971453) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine.

Molecular Properties

Compound Name1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine
PubChem CID59971453
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine
SMILESC#C/N=C/[C@@H]1CC2C=CC1C2
InChIInChI=1S/C10H11N/c1-2-11-7-10-6-8-3-4-9(10)5-8/h1,3-4,7-10H,5-6H2/b11-7+/t8?,9?,10-/m0/s1
InChIKeyXONFEJYFRACNQK-URCLRTTJSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine?
The IUPAC name of 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine (CID 59971453) is 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine.
What is the SMILES notation for 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine?
The canonical SMILES for 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine is C#C/N=C/[C@@H]1CC2C=CC1C2.
What is the InChIKey of 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine?
The InChIKey is XONFEJYFRACNQK-URCLRTTJSA-N. The full InChI is InChI=1S/C10H11N/c1-2-11-7-10-6-8-3-4-9(10)5-8/h1,3-4,7-10H,5-6H2/b11-7+/t8?,9?,10-/m0/s1.
What are the key properties of 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine?
1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine has a molecular weight of 145.20 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-bicyclo[2.2.1]hept-5-enyl]-N-ethynylmethanimine is sourced from PubChem (CID 59971453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).