3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine

C13H21N — CID 129132258

IUPAC3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine
SMILESC/C=C(/C)C1=C(C)C(C)=CN(C)C1C
InChIInChI=1S/C13H21N/c1-7-9(2)13-11(4)10(3)8-14(6)12(13)5/h7-8,12H,1-6H3/b9-7-
InChIKeyXWKIKQUQAHEQNP-CLFYSBASSA-N
MW191.32 g/mol
LogP3.51
Rot. Bonds1

About 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine

3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine (PubChem CID 129132258) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine
PubChem CID129132258
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine
SMILESC/C=C(/C)C1=C(C)C(C)=CN(C)C1C
InChIInChI=1S/C13H21N/c1-7-9(2)13-11(4)10(3)8-14(6)12(13)5/h7-8,12H,1-6H3/b9-7-
InChIKeyXWKIKQUQAHEQNP-CLFYSBASSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine (CID 129132258) is 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine is C/C=C(/C)C1=C(C)C(C)=CN(C)C1C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine?
The InChIKey is XWKIKQUQAHEQNP-CLFYSBASSA-N. The full InChI is InChI=1S/C13H21N/c1-7-9(2)13-11(4)10(3)8-14(6)12(13)5/h7-8,12H,1-6H3/b9-7-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine?
3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-en-2-yl]-1,2,4,5-tetramethyl-2H-pyridine is sourced from PubChem (CID 129132258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).