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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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).