5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine

C11H15N — CID 123453677

IUPAC5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine
SMILES[H]/N=C1\C=C(C)C(C=C)C2CCC12
InChIInChI=1S/C11H15N/c1-3-8-7(2)6-11(12)10-5-4-9(8)10/h3,6,8-10,12H,1,4-5H2,2H3/b12-11+
InChIKeyPBSIEYDOVHIFIX-VAWYXSNFSA-N
MW161.25 g/mol
LogP2.79
Rot. Bonds1

About 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine

5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine (PubChem CID 123453677) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine.

Molecular Properties

Compound Name5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine
PubChem CID123453677
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine
SMILES[H]/N=C1\C=C(C)C(C=C)C2CCC12
InChIInChI=1S/C11H15N/c1-3-8-7(2)6-11(12)10-5-4-9(8)10/h3,6,8-10,12H,1,4-5H2,2H3/b12-11+
InChIKeyPBSIEYDOVHIFIX-VAWYXSNFSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.79
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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Related Compounds

3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 17962987
(8Z,10Z)-tricyclo[10.4.0.03,8]hexadeca-1(16),4,6,8,10,14-hexaen-2-imine
CID 23051203
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(2S)-1-cyclohex-3-en-1-yl-2-methylbutan-1-imine
CID 89058429
4,5,6-Trimethylcyclohex-2-en-1-imine
CID 90968842
5-Ethyl-2-(3-methylheptan-2-yl)cyclohepta-2,6-dien-1-imine
CID 91205691
6-Ethylbicyclo[5.1.0]oct-4-en-3-imine
CID 91291120
2-Methyl-1-[2-methyl-3-(3-methylnon-8-en-2-ylidene)cyclobutyl]heptan-4-imine
CID 91346033
6-Propyl-3,6,7,8,9,9a-hexahydrobenzo[7]annulen-5-imine
CID 91352755
1-[3-Ethyl-4-(6-methylcyclohex-2-en-1-yl)cyclohexen-1-yl]ethanimine
CID 91385250

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine?
The IUPAC name of 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine (CID 123453677) is 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine.
What is the SMILES notation for 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine?
The canonical SMILES for 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine is [H]/N=C1\C=C(C)C(C=C)C2CCC12.
What is the InChIKey of 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine?
The InChIKey is PBSIEYDOVHIFIX-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H15N/c1-3-8-7(2)6-11(12)10-5-4-9(8)10/h3,6,8-10,12H,1,4-5H2,2H3/b12-11+.
What are the key properties of 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine?
5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine has a molecular weight of 161.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methylbicyclo[4.2.0]oct-3-en-2-imine is sourced from PubChem (CID 123453677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).