3-ethyl-4,5-dimethylidenepyridine

C9H11N — CID 91413289

IUPAC3-ethyl-4,5-dimethylidenepyridine
SMILESC=c1cncc(CC)c1=C
InChIInChI=1S/C9H11N/c1-4-9-6-10-5-7(2)8(9)3/h5-6H,2-4H2,1H3
InChIKeyFQKZXEDLHMVSTG-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.46
Rot. Bonds1

About 3-ethyl-4,5-dimethylidenepyridine

3-ethyl-4,5-dimethylidenepyridine (PubChem CID 91413289) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethylidenepyridine.

Molecular Properties

Compound Name3-ethyl-4,5-dimethylidenepyridine
PubChem CID91413289
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC Name3-ethyl-4,5-dimethylidenepyridine
SMILESC=c1cncc(CC)c1=C
InChIInChI=1S/C9H11N/c1-4-9-6-10-5-7(2)8(9)3/h5-6H,2-4H2,1H3
InChIKeyFQKZXEDLHMVSTG-UHFFFAOYSA-N
XLogP0.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-3,4-dihydropyridine
CID 14979265
2-fluoro-N-[(E)-2-methylpent-1-enyl]prop-2-en-1-imine
CID 163961614
N-(cyclohexylidenemethyl)propan-1-imine
CID 12942395
5-Methyl-3,4-dihydropyridine
CID 14979264
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
N-propylidene-(2-ethylhexen-1-yl-amine)
CID 53884118
5-Butyl-3,4-dihydropyridine
CID 56992845
5-Propyl-3,4-dihydropyridine
CID 57125642
5-methyl-4-methylidene-3H-pyridine
CID 59284208
6-methyl-4,5-dihydro-3H-azepine
CID 68009589
N-ethyl-2-methylidenepentan-1-imine
CID 88976095
N-[(Z)-2-ethylpent-1-enyl]ethanimine
CID 89306117

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethylidenepyridine?
The IUPAC name of 3-ethyl-4,5-dimethylidenepyridine (CID 91413289) is 3-ethyl-4,5-dimethylidenepyridine.
What is the SMILES notation for 3-ethyl-4,5-dimethylidenepyridine?
The canonical SMILES for 3-ethyl-4,5-dimethylidenepyridine is C=c1cncc(CC)c1=C.
What is the InChIKey of 3-ethyl-4,5-dimethylidenepyridine?
The InChIKey is FQKZXEDLHMVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N/c1-4-9-6-10-5-7(2)8(9)3/h5-6H,2-4H2,1H3.
What are the key properties of 3-ethyl-4,5-dimethylidenepyridine?
3-ethyl-4,5-dimethylidenepyridine has a molecular weight of 133.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethylidenepyridine is sourced from PubChem (CID 91413289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).