4-[(Z)-but-2-en-2-yl]-3-ethylpyridine

C11H15N — CID 143124688

IUPAC4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
SMILESC/C=C(/C)c1ccncc1CC
InChIInChI=1S/C11H15N/c1-4-9(3)11-6-7-12-8-10(11)5-2/h4,6-8H,5H2,1-3H3/b9-4-
InChIKeyQNXJUKOTJYNCGD-WTKPLQERSA-N
MW161.25 g/mol
LogP3.07
Rot. Bonds2

About 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine

4-[(Z)-but-2-en-2-yl]-3-ethylpyridine (PubChem CID 143124688) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
PubChem CID143124688
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
SMILESC/C=C(/C)c1ccncc1CC
InChIInChI=1S/C11H15N/c1-4-9(3)11-6-7-12-8-10(11)5-2/h4,6-8H,5H2,1-3H3/b9-4-
InChIKeyQNXJUKOTJYNCGD-WTKPLQERSA-N
XLogP3.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
3,4-diethylpyridine;ethane
CID 90914060
4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
CID 173481390
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
3-bromo-4-ethylpyridine
CID 13160533
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
(E)-3-(3,5-dimethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
CID 75395980
(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone
CID 142255618
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
(E)-3-(2-ethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
CID 75395982

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine (CID 143124688) is 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine is C/C=C(/C)c1ccncc1CC.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine?
The InChIKey is QNXJUKOTJYNCGD-WTKPLQERSA-N. The full InChI is InChI=1S/C11H15N/c1-4-9(3)11-6-7-12-8-10(11)5-2/h4,6-8H,5H2,1-3H3/b9-4-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine?
4-[(Z)-but-2-en-2-yl]-3-ethylpyridine has a molecular weight of 161.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-3-ethylpyridine is sourced from PubChem (CID 143124688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).