1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine

C11H14N+ — CID 91246055

IUPAC1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine
SMILES[H]/N=C(\C)C1=CC([CH2+])C2CC2C=C1
InChIInChI=1S/C11H14N/c1-7-5-9(8(2)12)3-4-10-6-11(7)10/h3-5,7,10-12H,1,6H2,2H3/q+1/b12-8+
InChIKeySGNHIDIPUPVEDR-XYOKQWHBSA-N
MW160.24 g/mol
LogP2.61
Rot. Bonds1

About 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine

1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine (PubChem CID 91246055) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine.

Molecular Properties

Compound Name1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine
PubChem CID91246055
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine
SMILES[H]/N=C(\C)C1=CC([CH2+])C2CC2C=C1
InChIInChI=1S/C11H14N/c1-7-5-9(8(2)12)3-4-10-6-11(7)10/h3-5,7,10-12H,1,6H2,2H3/q+1/b12-8+
InChIKeySGNHIDIPUPVEDR-XYOKQWHBSA-N
XLogP2.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4a,9a-Dihydrobenzo[7]annulen-5-imine
CID 91161416
6-Ethylbicyclo[5.1.0]oct-4-en-3-imine
CID 91291120
(2Z,4Z)-1-cyclopropyl-2-ethylhexa-2,4-dien-1-imine
CID 118327124
2-Methylbicyclo[4.1.0]hept-4-en-3-imine
CID 123206505
1-(6-Methylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 123262271
5,6-Dimethylcyclohept-2-en-1-imine
CID 123283954
3-Methyl-5-methylideneoct-6-en-4-imine
CID 123300580
5-Ethenyl-6,7-dimethylnon-4-en-2-imine
CID 123328467
(2Z,7Z)-3,5-dimethyl-4-prop-1-enylcycloocta-2,7-dien-1-imine
CID 123345347
4-Cyclopropyl-5-iminocyclohepta-1,6-diene-1-carbonitrile
CID 123406796
1-(5,6-Dimethylcyclohexa-1,3-dien-1-yl)ethanimine
CID 123574389
7-Ethylcyclohepta-2,4-dien-1-imine
CID 123593258

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine?
The IUPAC name of 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine (CID 91246055) is 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine.
What is the SMILES notation for 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine?
The canonical SMILES for 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine is [H]/N=C(\C)C1=CC([CH2+])C2CC2C=C1.
What is the InChIKey of 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine?
The InChIKey is SGNHIDIPUPVEDR-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N/c1-7-5-9(8(2)12)3-4-10-6-11(7)10/h3-5,7,10-12H,1,6H2,2H3/q+1/b12-8+.
What are the key properties of 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine?
1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine has a molecular weight of 160.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-4-bicyclo[5.1.0]octa-2,4-dienyl)ethanimine is sourced from PubChem (CID 91246055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).