6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine

C12H19N — CID 23223757

IUPAC6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CC(C2CCC=CCC2)NCC1
InChIInChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h1-2,5,9,11-13H,3-4,6-8,10H2
InChIKeyHWDZQERKNHOEPF-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.65
Rot. Bonds1

About 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine

6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine (PubChem CID 23223757) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine
PubChem CID23223757
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=CC(C2CCC=CCC2)NCC1
InChIInChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h1-2,5,9,11-13H,3-4,6-8,10H2
InChIKeyHWDZQERKNHOEPF-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine (CID 23223757) is 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine is C1=CC(C2CCC=CCC2)NCC1.
What is the InChIKey of 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is HWDZQERKNHOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12/h1-2,5,9,11-13H,3-4,6-8,10H2.
What are the key properties of 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine?
6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 177.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohept-4-en-1-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 23223757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).