4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine

C18H23N — CID 142122890

IUPAC4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCC=C(C2=CCN(C3=CCCCC3)CC2)C=C1
InChIInChI=1S/C18H23N/c1-2-5-9-16(8-4-1)17-12-14-19(15-13-17)18-10-6-3-7-11-18/h1-2,4,8-10,12H,3,5-7,11,13-15H2
InChIKeyGIJVQXYGISALOL-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.52
Rot. Bonds2

About 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine

4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine (PubChem CID 142122890) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine
PubChem CID142122890
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine
SMILESC1=CCC=C(C2=CCN(C3=CCCCC3)CC2)C=C1
InChIInChI=1S/C18H23N/c1-2-5-9-16(8-4-1)17-12-14-19(15-13-17)18-10-6-3-7-11-18/h1-2,4,8-10,12H,3,5-7,11,13-15H2
InChIKeyGIJVQXYGISALOL-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine (CID 142122890) is 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine is C1=CCC=C(C2=CCN(C3=CCCCC3)CC2)C=C1.
What is the InChIKey of 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is GIJVQXYGISALOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-5-9-16(8-4-1)17-12-14-19(15-13-17)18-10-6-3-7-11-18/h1-2,4,8-10,12H,3,5-7,11,13-15H2.
What are the key properties of 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine?
4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 253.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohepta-1,4,6-trien-1-yl-1-(cyclohexen-1-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142122890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).