4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine

C17H23N — CID 166715381

IUPAC4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine
SMILESC1=CC(C2C=CN=C(C3CC=CCC3)C2)CCC1
InChIInChI=1S/C17H23N/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h2-3,5,7,11-12,14-16H,1,4,6,8-10,13H2
InChIKeyAUCKUHDEWIWJCV-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.67
Rot. Bonds2

About 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine

4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine (PubChem CID 166715381) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine
PubChem CID166715381
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine
SMILESC1=CC(C2C=CN=C(C3CC=CCC3)C2)CCC1
InChIInChI=1S/C17H23N/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h2-3,5,7,11-12,14-16H,1,4,6,8-10,13H2
InChIKeyAUCKUHDEWIWJCV-UHFFFAOYSA-N
XLogP4.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.67
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

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9-cyclopent-2-en-1-yl-9-azabicyclo[3.3.1]nonan-3-one
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6-[9-(3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,4b,5,6,8a,9a-decahydrocarbazol-2-yl]-9-(5-cyclohex-2-en-1-yl-3-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,4a,7,8,9a-hexahydrocarbazole
CID 134390709
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CID 114620350
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine?
The IUPAC name of 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine (CID 166715381) is 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine?
The canonical SMILES for 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine is C1=CC(C2C=CN=C(C3CC=CCC3)C2)CCC1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine?
The InChIKey is AUCKUHDEWIWJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15/h2-3,5,7,11-12,14-16H,1,4,6,8-10,13H2.
What are the key properties of 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine?
4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine has a molecular weight of 241.38 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-2-cyclohex-3-en-1-yl-3,4-dihydropyridine is sourced from PubChem (CID 166715381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).