3-but-3-enyl-2,5-dimethylpyridine

C11H15N — CID 143845361

IUPAC3-but-3-enyl-2,5-dimethylpyridine
SMILESC=CCCc1cc(C)cnc1C
InChIInChI=1S/C11H15N/c1-4-5-6-11-7-9(2)8-12-10(11)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyBBZSTHKSFOLMNJ-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.82
Rot. Bonds3

About 3-but-3-enyl-2,5-dimethylpyridine

3-but-3-enyl-2,5-dimethylpyridine (PubChem CID 143845361) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 3-but-3-enyl-2,5-dimethylpyridine.

Molecular Properties

Compound Name3-but-3-enyl-2,5-dimethylpyridine
PubChem CID143845361
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name3-but-3-enyl-2,5-dimethylpyridine
SMILESC=CCCc1cc(C)cnc1C
InChIInChI=1S/C11H15N/c1-4-5-6-11-7-9(2)8-12-10(11)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyBBZSTHKSFOLMNJ-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,5-dimethylpyridine
CID 528719
4-but-3-enyl-2,3,5-trimethylpyridine
CID 143996457
carbon dioxide;3-ethyl-2,5-dimethylpyridine
CID 163884675
2-chloro-5-methyl-3-prop-2-enylpyridine
CID 46318113
2-methyl-3,5-bis(prop-2-enyl)pyridine
CID 67653617
2-but-3-enyl-1-isocyano-4-methylbenzene
CID 121010130
3-[(2,5-dimethyl-3-pyridinyl)methyl]-1-prop-2-enylpyrido[2,3-d]pyrimidine-2,4-dione
CID 139891765
3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
CID 143845327
1-but-3-enyl-2,3,4,5-tetramethylbenzene
CID 91804651
[2-[(1Z)-buta-1,3-dienyl]-5-methyl-3-pyridinyl]methanolate
CID 144589862
2-but-3-enyl-4-methylbenzenesulfonamide
CID 175817922
5-but-3-enyl-2-methyl-1,3-thiazole
CID 145451316

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2,5-dimethylpyridine?
The IUPAC name of 3-but-3-enyl-2,5-dimethylpyridine (CID 143845361) is 3-but-3-enyl-2,5-dimethylpyridine.
What is the SMILES notation for 3-but-3-enyl-2,5-dimethylpyridine?
The canonical SMILES for 3-but-3-enyl-2,5-dimethylpyridine is C=CCCc1cc(C)cnc1C.
What is the InChIKey of 3-but-3-enyl-2,5-dimethylpyridine?
The InChIKey is BBZSTHKSFOLMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-5-6-11-7-9(2)8-12-10(11)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 3-but-3-enyl-2,5-dimethylpyridine?
3-but-3-enyl-2,5-dimethylpyridine has a molecular weight of 161.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2,5-dimethylpyridine is sourced from PubChem (CID 143845361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).