4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine

C13H17N — CID 173481390

IUPAC4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
SMILESC=C/C(=C\C)Cc1ccncc1CC
InChIInChI=1S/C13H17N/c1-4-11(5-2)9-13-7-8-14-10-12(13)6-3/h4-5,7-8,10H,1,6,9H2,2-3H3/b11-5+
InChIKeyKMBZLPXUJDVTEF-VZUCSPMQSA-N
MW187.29 g/mol
LogP3.32
Rot. Bonds4

About 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine

4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine (PubChem CID 173481390) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine.

Molecular Properties

Compound Name4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
PubChem CID173481390
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
SMILESC=C/C(=C\C)Cc1ccncc1CC
InChIInChI=1S/C13H17N/c1-4-11(5-2)9-13-7-8-14-10-12(13)6-3/h4-5,7-8,10H,1,6,9H2,2-3H3/b11-5+
InChIKeyKMBZLPXUJDVTEF-VZUCSPMQSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethylpyridine;ethane
CID 90914060
4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
CID 143124688
3-bromo-4-ethylpyridine
CID 13160533
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
ethane;(4-ethyl-3-pyridinyl)methanol;propane
CID 142370025
methyl 3-(3-ethyl-4-pyridinyl)propanoate
CID 174235269
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
CID 134566553
ethane;3-methyl-4-prop-2-enylpyridine
CID 143260115
2,3-dihydroxybutanedioic acid;(2R)-1,1,1-trichloro-3-(3-ethyl-4-pyridinyl)propan-2-ol
CID 173457990
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
1-(4-pyridin-4-yl-3-pyridinyl)but-3-en-2-one
CID 67850975

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine?
The IUPAC name of 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine (CID 173481390) is 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine.
What is the SMILES notation for 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine?
The canonical SMILES for 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine is C=C/C(=C\C)Cc1ccncc1CC.
What is the InChIKey of 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine?
The InChIKey is KMBZLPXUJDVTEF-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H17N/c1-4-11(5-2)9-13-7-8-14-10-12(13)6-3/h4-5,7-8,10H,1,6,9H2,2-3H3/b11-5+.
What are the key properties of 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine?
4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine has a molecular weight of 187.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine is sourced from PubChem (CID 173481390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).