3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine

C20H25N — CID 178089923

IUPAC3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine
SMILESCC/C(=C(\CC)c1ncccc1CC)c1ccccc1C
InChIInChI=1S/C20H25N/c1-5-16-12-10-14-21-20(16)18(7-3)17(6-2)19-13-9-8-11-15(19)4/h8-14H,5-7H2,1-4H3/b18-17-
InChIKeyZMHOQZHTFLKBFA-ZCXUNETKSA-N
MW279.43 g/mol
LogP5.68
Rot. Bonds5

About 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine

3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine (PubChem CID 178089923) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine
PubChem CID178089923
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine
SMILESCC/C(=C(\CC)c1ncccc1CC)c1ccccc1C
InChIInChI=1S/C20H25N/c1-5-16-12-10-14-21-20(16)18(7-3)17(6-2)19-13-9-8-11-15(19)4/h8-14H,5-7H2,1-4H3/b18-17-
InChIKeyZMHOQZHTFLKBFA-ZCXUNETKSA-N
XLogP5.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 138480551
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ethane;3-ethyl-2-methylpyridine
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(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
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ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
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1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
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3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine?
The IUPAC name of 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine (CID 178089923) is 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine.
What is the SMILES notation for 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine?
The canonical SMILES for 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine is CC/C(=C(\CC)c1ncccc1CC)c1ccccc1C.
What is the InChIKey of 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine?
The InChIKey is ZMHOQZHTFLKBFA-ZCXUNETKSA-N. The full InChI is InChI=1S/C20H25N/c1-5-16-12-10-14-21-20(16)18(7-3)17(6-2)19-13-9-8-11-15(19)4/h8-14H,5-7H2,1-4H3/b18-17-.
What are the key properties of 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine?
3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine has a molecular weight of 279.43 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(Z)-4-(2-methylphenyl)hex-3-en-3-yl]pyridine is sourced from PubChem (CID 178089923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).