4-cycloheptyl-2,5-dihydropyridine

C12H19N — CID 57091651

IUPAC4-cycloheptyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCCCC2)C1
InChIInChI=1S/C12H19N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h7,10-11H,1-6,8-9H2
InChIKeyZVBRJISCMFJSCK-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.36
Rot. Bonds1

About 4-cycloheptyl-2,5-dihydropyridine

4-cycloheptyl-2,5-dihydropyridine (PubChem CID 57091651) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-cycloheptyl-2,5-dihydropyridine.

Molecular Properties

Compound Name4-cycloheptyl-2,5-dihydropyridine
PubChem CID57091651
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-cycloheptyl-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCCCC2)C1
InChIInChI=1S/C12H19N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h7,10-11H,1-6,8-9H2
InChIKeyZVBRJISCMFJSCK-UHFFFAOYSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cycloheptyl-2,5-dihydropyridine
CID 54266406
4-Cyclooctyl-2,5-dihydropyridine
CID 57059572
4-Cyclobutyl-2,5-dihydropyridine
CID 57080899
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
4-Cyclohexyl-2,5-dihydropyridine
CID 57199246
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
4,6,7,8,9,9a-hexahydro-3H-2-benzazepine
CID 67535755
3-(2-Methylbutylidene)-4-propyl-2,4,5,6,7,8-hexahydroazonine
CID 90769610
4a,5,6,7,8,9-hexahydro-2H-cyclohepta[b]pyridine
CID 91277880
3-Azatricyclo[9.4.0.02,7]pentadeca-1(15),3,6,13-tetraene
CID 91445412
3-propan-2-yl-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyridine
CID 123579798

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-2,5-dihydropyridine?
The IUPAC name of 4-cycloheptyl-2,5-dihydropyridine (CID 57091651) is 4-cycloheptyl-2,5-dihydropyridine.
What is the SMILES notation for 4-cycloheptyl-2,5-dihydropyridine?
The canonical SMILES for 4-cycloheptyl-2,5-dihydropyridine is C1=NCC=C(C2CCCCCC2)C1.
What is the InChIKey of 4-cycloheptyl-2,5-dihydropyridine?
The InChIKey is ZVBRJISCMFJSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-4-6-11(5-3-1)12-7-9-13-10-8-12/h7,10-11H,1-6,8-9H2.
What are the key properties of 4-cycloheptyl-2,5-dihydropyridine?
4-cycloheptyl-2,5-dihydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-2,5-dihydropyridine is sourced from PubChem (CID 57091651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).