5-buta-1,3-dienyl-2,3-dimethylpyridine

C11H13N — CID 134859685

IUPAC5-buta-1,3-dienyl-2,3-dimethylpyridine
SMILESC=CC=Cc1cnc(C)c(C)c1
InChIInChI=1S/C11H13N/c1-4-5-6-11-7-9(2)10(3)12-8-11/h4-8H,1H2,2-3H3
InChIKeyAESGSKQCWUQHON-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.90
Rot. Bonds2

About 5-buta-1,3-dienyl-2,3-dimethylpyridine

5-buta-1,3-dienyl-2,3-dimethylpyridine (PubChem CID 134859685) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-buta-1,3-dienyl-2,3-dimethylpyridine.

Molecular Properties

Compound Name5-buta-1,3-dienyl-2,3-dimethylpyridine
PubChem CID134859685
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-buta-1,3-dienyl-2,3-dimethylpyridine
SMILESC=CC=Cc1cnc(C)c(C)c1
InChIInChI=1S/C11H13N/c1-4-5-6-11-7-9(2)10(3)12-8-11/h4-8H,1H2,2-3H3
InChIKeyAESGSKQCWUQHON-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1Z)-buta-1,3-dienyl]-2,5-dimethylpyridine;ethane
CID 143845327
6-[(1Z)-buta-1,3-dienyl]-5-methylpyridin-3-amine;ethane
CID 176696462
2-methyl-5-[(E)-3-oxoprop-1-enyl]pyridine-3-carbonitrile
CID 129188916
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
[2-[(1Z)-buta-1,3-dienyl]-5-methyl-3-pyridinyl]methanolate
CID 144589862
4,6-bis[(1Z)-buta-1,3-dienyl]-3-methylacridine
CID 126733664
carbanide;2,3,5-trimethylpyridine;yttrium
CID 161357475
5-fluoro-2,3-dimethylpyridine
CID 45079981
4-(6-fluoro-5-methyl-3-pyridinyl)but-3-enal
CID 170481549
2-methyl-3,5-bis(prop-2-enyl)pyridine
CID 67653617
3-but-3-enyl-2,5-dimethylpyridine
CID 143845361
4-but-3-enyl-2,3,5-trimethylpyridine
CID 143996457

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dienyl-2,3-dimethylpyridine?
The IUPAC name of 5-buta-1,3-dienyl-2,3-dimethylpyridine (CID 134859685) is 5-buta-1,3-dienyl-2,3-dimethylpyridine.
What is the SMILES notation for 5-buta-1,3-dienyl-2,3-dimethylpyridine?
The canonical SMILES for 5-buta-1,3-dienyl-2,3-dimethylpyridine is C=CC=Cc1cnc(C)c(C)c1.
What is the InChIKey of 5-buta-1,3-dienyl-2,3-dimethylpyridine?
The InChIKey is AESGSKQCWUQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-4-5-6-11-7-9(2)10(3)12-8-11/h4-8H,1H2,2-3H3.
What are the key properties of 5-buta-1,3-dienyl-2,3-dimethylpyridine?
5-buta-1,3-dienyl-2,3-dimethylpyridine has a molecular weight of 159.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dienyl-2,3-dimethylpyridine is sourced from PubChem (CID 134859685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).