5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane

C13H21N — CID 143643796

IUPAC5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane
SMILESCC.CC/C=C\c1cnc(C)cc1C
InChIInChI=1S/C11H15N.C2H6/c1-4-5-6-11-8-12-10(3)7-9(11)2;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyYYIWXLZZFSJELE-YSMBQZINSA-N
MW191.32 g/mol
LogP4.15
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane

5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane (PubChem CID 143643796) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane
PubChem CID143643796
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane
SMILESCC.CC/C=C\c1cnc(C)cc1C
InChIInChI=1S/C11H15N.C2H6/c1-4-5-6-11-8-12-10(3)7-9(11)2;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5-;
InChIKeyYYIWXLZZFSJELE-YSMBQZINSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane?
The IUPAC name of 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane (CID 143643796) is 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane?
The canonical SMILES for 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane is CC.CC/C=C\c1cnc(C)cc1C.
What is the InChIKey of 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane?
The InChIKey is YYIWXLZZFSJELE-YSMBQZINSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-4-5-6-11-8-12-10(3)7-9(11)2;1-2/h5-8H,4H2,1-3H3;1-2H3/b6-5-;.
What are the key properties of 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane?
5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane has a molecular weight of 191.32 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-2,4-dimethylpyridine;ethane is sourced from PubChem (CID 143643796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).