3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine

C11H15N — CID 143880197

IUPAC3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine
SMILESC/C=C(/C)c1ccc(C)nc1C
InChIInChI=1S/C11H15N/c1-5-8(2)11-7-6-9(3)12-10(11)4/h5-7H,1-4H3/b8-5-
InChIKeyXDMPPSXMCLGZRC-YVMONPNESA-N
MW161.25 g/mol
LogP3.12
Rot. Bonds1

About 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine

3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine (PubChem CID 143880197) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine.

Molecular Properties

Compound Name3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine
PubChem CID143880197
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine
SMILESC/C=C(/C)c1ccc(C)nc1C
InChIInChI=1S/C11H15N/c1-5-8(2)11-7-6-9(3)12-10(11)4/h5-7H,1-4H3/b8-5-
InChIKeyXDMPPSXMCLGZRC-YVMONPNESA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethylpyridine-3-carboxamide
CID 2824850
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853
1-(2,6-dimethyl-3-pyridinyl)prop-2-yn-1-one
CID 105108206
1-(2,6-dimethyl-3-pyridinyl)-2-methylpropan-1-one
CID 11030369
(2,6-dimethyl-3-pyridinyl)-(5-methylfuran-2-yl)methanone
CID 114995430
1-(2,6-dimethyl-3-pyridinyl)-2-ethylbutan-1-one
CID 105117428
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937
1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
CID 105077565
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
(4-chlorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 115604683
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
CID 11334130
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine?
The IUPAC name of 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine (CID 143880197) is 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine.
What is the SMILES notation for 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine?
The canonical SMILES for 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine is C/C=C(/C)c1ccc(C)nc1C.
What is the InChIKey of 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine?
The InChIKey is XDMPPSXMCLGZRC-YVMONPNESA-N. The full InChI is InChI=1S/C11H15N/c1-5-8(2)11-7-6-9(3)12-10(11)4/h5-7H,1-4H3/b8-5-.
What are the key properties of 3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine?
3-[(Z)-but-2-en-2-yl]-2,6-dimethylpyridine has a molecular weight of 161.25 g/mol, XLogP of 3.12, 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]-2,6-dimethylpyridine is sourced from PubChem (CID 143880197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).