(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine

C10H15NO — CID 155319054

IUPAC(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine
SMILESCO/N=C(/C)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H15NO/c1-7(11-12-2)10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-6H2,1-2H3/b11-7-/t8-,9+,10-/m0/s1
InChIKeyHTMCJUCLGLKHGA-RCIRIPLKSA-N
MW165.24 g/mol
LogP2.22
Rot. Bonds2

About (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine

(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine (PubChem CID 155319054) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine
PubChem CID155319054
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine
SMILESCO/N=C(/C)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C10H15NO/c1-7(11-12-2)10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-6H2,1-2H3/b11-7-/t8-,9+,10-/m0/s1
InChIKeyHTMCJUCLGLKHGA-RCIRIPLKSA-N
XLogP2.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine?
The IUPAC name of (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine (CID 155319054) is (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine.
What is the SMILES notation for (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine?
The canonical SMILES for (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine is CO/N=C(/C)[C@@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine?
The InChIKey is HTMCJUCLGLKHGA-RCIRIPLKSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(11-12-2)10-6-8-3-4-9(10)5-8/h3-4,8-10H,5-6H2,1-2H3/b11-7-/t8-,9+,10-/m0/s1.
What are the key properties of (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine?
(Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine has a molecular weight of 165.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-methoxyethanimine is sourced from PubChem (CID 155319054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).