3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine

C20H23NO2 — CID 22444369

IUPAC3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine
SMILESC(=C/CC1OCCO1)\CCC(c1ccccc1)c1cccnc1
InChIInChI=1S/C20H23NO2/c1-3-8-17(9-4-1)19(18-10-7-13-21-16-18)11-5-2-6-12-20-22-14-15-23-20/h1-4,6-10,13,16,19-20H,5,11-12,14-15H2/b6-2+
InChIKeyXEHQUCUQKWKBMP-QHHAFSJGSA-N
MW309.41 g/mol
LogP4.31
Rot. Bonds7

About 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine

3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine (PubChem CID 22444369) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine.

Molecular Properties

Compound Name3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine
PubChem CID22444369
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine
SMILESC(=C/CC1OCCO1)\CCC(c1ccccc1)c1cccnc1
InChIInChI=1S/C20H23NO2/c1-3-8-17(9-4-1)19(18-10-7-13-21-16-18)11-5-2-6-12-20-22-14-15-23-20/h1-4,6-10,13,16,19-20H,5,11-12,14-15H2/b6-2+
InChIKeyXEHQUCUQKWKBMP-QHHAFSJGSA-N
XLogP4.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dipyridin-3-ylethanol
CID 57450821
N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine
CID 59499292
11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310
[(Z)-1-phenyloct-4-enyl]benzene
CID 143321928
(2E)-3,7-dimethyl-N-(4-phenyl-4-pyridin-3-ylbutyl)octa-2,6-dien-1-amine
CID 164948672
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
1,4-dioxan-2-yl(pyridin-3-yl)methanol
CID 65350860
4-pyridin-3-yl-4-pyridin-4-ylbutanamide
CID 174955262
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 75509202
1-hydroxy-3-phenyl-1-(5-phenyl-5-pyridin-3-ylpentyl)thiourea
CID 22444308
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine?
The IUPAC name of 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine (CID 22444369) is 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine.
What is the SMILES notation for 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine?
The canonical SMILES for 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine is C(=C/CC1OCCO1)\CCC(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine?
The InChIKey is XEHQUCUQKWKBMP-QHHAFSJGSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-8-17(9-4-1)19(18-10-7-13-21-16-18)11-5-2-6-12-20-22-14-15-23-20/h1-4,6-10,13,16,19-20H,5,11-12,14-15H2/b6-2+.
What are the key properties of 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine?
3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine has a molecular weight of 309.41 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-6-(1,3-dioxolan-2-yl)-1-phenylhex-4-enyl]pyridine is sourced from PubChem (CID 22444369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).