3-ethenyl-5-propan-2-ylpyridine

C10H13N — CID 74788587

IUPAC3-ethenyl-5-propan-2-ylpyridine
SMILESC=Cc1cncc(C(C)C)c1
InChIInChI=1S/C10H13N/c1-4-9-5-10(8(2)3)7-11-6-9/h4-8H,1H2,2-3H3
InChIKeyLPKKPYCSQWDTSL-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.85
Rot. Bonds2

About 3-ethenyl-5-propan-2-ylpyridine

3-ethenyl-5-propan-2-ylpyridine (PubChem CID 74788587) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-ethenyl-5-propan-2-ylpyridine.

Molecular Properties

Compound Name3-ethenyl-5-propan-2-ylpyridine
PubChem CID74788587
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-ethenyl-5-propan-2-ylpyridine
SMILESC=Cc1cncc(C(C)C)c1
InChIInChI=1S/C10H13N/c1-4-9-5-10(8(2)3)7-11-6-9/h4-8H,1H2,2-3H3
InChIKeyLPKKPYCSQWDTSL-UHFFFAOYSA-N
XLogP2.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Pyridine
CID 1049
Paraquat dichloride
CID 15938
3-Methylpyridine
CID 7970
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
Myosmine
CID 442649
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-propan-2-ylpyridine?
The IUPAC name of 3-ethenyl-5-propan-2-ylpyridine (CID 74788587) is 3-ethenyl-5-propan-2-ylpyridine.
What is the SMILES notation for 3-ethenyl-5-propan-2-ylpyridine?
The canonical SMILES for 3-ethenyl-5-propan-2-ylpyridine is C=Cc1cncc(C(C)C)c1.
What is the InChIKey of 3-ethenyl-5-propan-2-ylpyridine?
The InChIKey is LPKKPYCSQWDTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-4-9-5-10(8(2)3)7-11-6-9/h4-8H,1H2,2-3H3.
What are the key properties of 3-ethenyl-5-propan-2-ylpyridine?
3-ethenyl-5-propan-2-ylpyridine has a molecular weight of 147.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-propan-2-ylpyridine is sourced from PubChem (CID 74788587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).