3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine

C12H17N — CID 89383516

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine
SMILES[H]/N=C1\CCC(C2CC3C=CC2C3)C1
InChIInChI=1S/C12H17N/c13-11-4-3-10(7-11)12-6-8-1-2-9(12)5-8/h1-2,8-10,12-13H,3-7H2/b13-11+
InChIKeyDJAHIPKDDOMKDZ-ACCUITESSA-N
MW175.27 g/mol
LogP3.02
Rot. Bonds1

About 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine

3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine (PubChem CID 89383516) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine
PubChem CID89383516
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine
SMILES[H]/N=C1\CCC(C2CC3C=CC2C3)C1
InChIInChI=1S/C12H17N/c13-11-4-3-10(7-11)12-6-8-1-2-9(12)5-8/h1-2,8-10,12-13H,3-7H2/b13-11+
InChIKeyDJAHIPKDDOMKDZ-ACCUITESSA-N
XLogP3.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
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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Related Compounds

5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061
3,4,4a,4b,8a,9a-Hexahydrofluoren-9-imine
CID 89317268
Tetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-imine
CID 89381122
1,2,3,3a,7,7a-Hexahydroinden-4-imine
CID 90957522
4-Cyclohexylbicyclo[2.2.1]hept-5-en-2-imine
CID 150477071
4-(2-Ethylhexyl)bicyclo[2.2.1]hept-5-en-2-imine
CID 152120599
(1R,4S)-spiro[bicyclo[2.2.1]heptane-3,4'-cyclopentene]-2-imine
CID 164833717
4-Decylbicyclo[2.2.1]hept-5-en-2-imine
CID 174629056
4-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 174629062
(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine
CID 102035380
3-propan-2-yl-5-(3-propan-2-yl-2-bicyclo[2.2.1]hept-5-enyl)-4H-pyrazole
CID 159781767

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine (CID 89383516) is 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine is [H]/N=C1\CCC(C2CC3C=CC2C3)C1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine?
The InChIKey is DJAHIPKDDOMKDZ-ACCUITESSA-N. The full InChI is InChI=1S/C12H17N/c13-11-4-3-10(7-11)12-6-8-1-2-9(12)5-8/h1-2,8-10,12-13H,3-7H2/b13-11+.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine?
3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine has a molecular weight of 175.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)cyclopentan-1-imine is sourced from PubChem (CID 89383516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).