6-ethylbicyclo[5.1.0]oct-4-en-3-imine

C10H15N — CID 91291120

IUPAC6-ethylbicyclo[5.1.0]oct-4-en-3-imine
SMILES[H]/N=C1\C=CC(CC)C2CC2C1
InChIInChI=1S/C10H15N/c1-2-7-3-4-9(11)5-8-6-10(7)8/h3-4,7-8,10-11H,2,5-6H2,1H3/b11-9+
InChIKeyYXMYUXUHHYYANS-PKNBQFBNSA-N
MW149.24 g/mol
LogP2.63
Rot. Bonds1

About 6-ethylbicyclo[5.1.0]oct-4-en-3-imine

6-ethylbicyclo[5.1.0]oct-4-en-3-imine (PubChem CID 91291120) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-ethylbicyclo[5.1.0]oct-4-en-3-imine.

Molecular Properties

Compound Name6-ethylbicyclo[5.1.0]oct-4-en-3-imine
PubChem CID91291120
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-ethylbicyclo[5.1.0]oct-4-en-3-imine
SMILES[H]/N=C1\C=CC(CC)C2CC2C1
InChIInChI=1S/C10H15N/c1-2-7-3-4-9(11)5-8-6-10(7)8/h3-4,7-8,10-11H,2,5-6H2,1H3/b11-9+
InChIKeyYXMYUXUHHYYANS-PKNBQFBNSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Ethenylcyclopropyl)pent-1-en-3-imine
CID 90754586
3,5-Dimethylcyclohept-2-en-1-imine
CID 90778792
2,6-Dimethylcyclohept-2-en-1-imine
CID 90899794
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
1-(6-Methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine
CID 91246055
6-Methyl-2-(1-methyl-2-propan-2-ylcyclopropyl)cyclohept-2-en-1-imine
CID 91447041
1-Cyclopropyl-3-(2-methylpropyl)oct-2-en-1-imine
CID 91503531
5-Methylcyclohept-2-en-1-imine
CID 123171794
4-Ethylcyclohept-2-en-1-imine
CID 123193620
2-Methylbicyclo[4.1.0]hept-4-en-3-imine
CID 123206505
(2Z)-5-methylcyclooct-2-en-1-imine
CID 123260294
5,6-Dimethylcyclohept-2-en-1-imine
CID 123283954

Frequently Asked Questions

What is the IUPAC name of 6-ethylbicyclo[5.1.0]oct-4-en-3-imine?
The IUPAC name of 6-ethylbicyclo[5.1.0]oct-4-en-3-imine (CID 91291120) is 6-ethylbicyclo[5.1.0]oct-4-en-3-imine.
What is the SMILES notation for 6-ethylbicyclo[5.1.0]oct-4-en-3-imine?
The canonical SMILES for 6-ethylbicyclo[5.1.0]oct-4-en-3-imine is [H]/N=C1\C=CC(CC)C2CC2C1.
What is the InChIKey of 6-ethylbicyclo[5.1.0]oct-4-en-3-imine?
The InChIKey is YXMYUXUHHYYANS-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H15N/c1-2-7-3-4-9(11)5-8-6-10(7)8/h3-4,7-8,10-11H,2,5-6H2,1H3/b11-9+.
What are the key properties of 6-ethylbicyclo[5.1.0]oct-4-en-3-imine?
6-ethylbicyclo[5.1.0]oct-4-en-3-imine has a molecular weight of 149.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylbicyclo[5.1.0]oct-4-en-3-imine is sourced from PubChem (CID 91291120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).