2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine

C11H17N — CID 122550534

IUPAC2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine
SMILES[H]/N=C/C[C@H]1CC2CC(CC)=C[C@H]21
InChIInChI=1S/C11H17N/c1-2-8-5-10-7-9(3-4-12)11(10)6-8/h4,6,9-12H,2-3,5,7H2,1H3/b12-4+/t9-,10?,11-/m0/s1
InChIKeyNOISYOVBTOPOBD-OODHRRGOSA-N
MW163.26 g/mol
LogP3.02
Rot. Bonds3

About 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine

2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine (PubChem CID 122550534) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine.

Molecular Properties

Compound Name2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine
PubChem CID122550534
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine
SMILES[H]/N=C/C[C@H]1CC2CC(CC)=C[C@H]21
InChIInChI=1S/C11H17N/c1-2-8-5-10-7-9(3-4-12)11(10)6-8/h4,6,9-12H,2-3,5,7H2,1H3/b12-4+/t9-,10?,11-/m0/s1
InChIKeyNOISYOVBTOPOBD-OODHRRGOSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.02
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-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine?
The IUPAC name of 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine (CID 122550534) is 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine.
What is the SMILES notation for 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine?
The canonical SMILES for 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine is [H]/N=C/C[C@H]1CC2CC(CC)=C[C@H]21.
What is the InChIKey of 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine?
The InChIKey is NOISYOVBTOPOBD-OODHRRGOSA-N. The full InChI is InChI=1S/C11H17N/c1-2-8-5-10-7-9(3-4-12)11(10)6-8/h4,6,9-12H,2-3,5,7H2,1H3/b12-4+/t9-,10?,11-/m0/s1.
What are the key properties of 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine?
2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine has a molecular weight of 163.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,6R)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanimine is sourced from PubChem (CID 122550534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).