4-but-3-enyl-2,3,5-trimethylpyridine

C12H17N — CID 143996457

IUPAC4-but-3-enyl-2,3,5-trimethylpyridine
SMILESC=CCCc1c(C)cnc(C)c1C
InChIInChI=1S/C12H17N/c1-5-6-7-12-9(2)8-13-11(4)10(12)3/h5,8H,1,6-7H2,2-4H3
InChIKeyQGWOTMUZLIYDGS-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.13
Rot. Bonds3

About 4-but-3-enyl-2,3,5-trimethylpyridine

4-but-3-enyl-2,3,5-trimethylpyridine (PubChem CID 143996457) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-but-3-enyl-2,3,5-trimethylpyridine.

Molecular Properties

Compound Name4-but-3-enyl-2,3,5-trimethylpyridine
PubChem CID143996457
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-but-3-enyl-2,3,5-trimethylpyridine
SMILESC=CCCc1c(C)cnc(C)c1C
InChIInChI=1S/C12H17N/c1-5-6-7-12-9(2)8-13-11(4)10(12)3/h5,8H,1,6-7H2,2-4H3
InChIKeyQGWOTMUZLIYDGS-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-2,3,5-trimethylpyridine?
The IUPAC name of 4-but-3-enyl-2,3,5-trimethylpyridine (CID 143996457) is 4-but-3-enyl-2,3,5-trimethylpyridine.
What is the SMILES notation for 4-but-3-enyl-2,3,5-trimethylpyridine?
The canonical SMILES for 4-but-3-enyl-2,3,5-trimethylpyridine is C=CCCc1c(C)cnc(C)c1C.
What is the InChIKey of 4-but-3-enyl-2,3,5-trimethylpyridine?
The InChIKey is QGWOTMUZLIYDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-5-6-7-12-9(2)8-13-11(4)10(12)3/h5,8H,1,6-7H2,2-4H3.
What are the key properties of 4-but-3-enyl-2,3,5-trimethylpyridine?
4-but-3-enyl-2,3,5-trimethylpyridine has a molecular weight of 175.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-2,3,5-trimethylpyridine is sourced from PubChem (CID 143996457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).