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

C15H27N — CID 168881656

IUPAC6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane
SMILESC/C=C(/C)c1ccc(C)c(C)n1.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-5-8(2)11-7-6-9(3)10(4)12-11;2*1-2/h5-7H,1-4H3;2*1-2H3/b8-5-;;
InChIKeyGYROGCMNQWEHTA-XTKZWJJBSA-N
MW221.39 g/mol
LogP5.17
Rot. Bonds1

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

6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane (PubChem CID 168881656) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane.

Molecular Properties

Compound Name6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane
PubChem CID168881656
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane
SMILESC/C=C(/C)c1ccc(C)c(C)n1.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-5-8(2)11-7-6-9(3)10(4)12-11;2*1-2/h5-7H,1-4H3;2*1-2H3/b8-5-;;
InChIKeyGYROGCMNQWEHTA-XTKZWJJBSA-N
XLogP5.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane?
The IUPAC name of 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane (CID 168881656) is 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane.
What is the SMILES notation for 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane?
The canonical SMILES for 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane is C/C=C(/C)c1ccc(C)c(C)n1.CC.CC.
What is the InChIKey of 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane?
The InChIKey is GYROGCMNQWEHTA-XTKZWJJBSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-5-8(2)11-7-6-9(3)10(4)12-11;2*1-2/h5-7H,1-4H3;2*1-2H3/b8-5-;;.
What are the key properties of 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane?
6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane has a molecular weight of 221.39 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-2-en-2-yl]-2,3-dimethylpyridine;ethane is sourced from PubChem (CID 168881656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).