ethane;2-methyl-4-prop-1-en-2-ylpyridine

C11H17N — CID 166484279

IUPACethane;2-methyl-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccnc(C)c1.CC
InChIInChI=1S/C9H11N.C2H6/c1-7(2)9-4-5-10-8(3)6-9;1-2/h4-6H,1H2,2-3H3;1-2H3
InChIKeyTUVLCTPRGOIXNN-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.45
Rot. Bonds1

About ethane;2-methyl-4-prop-1-en-2-ylpyridine

ethane;2-methyl-4-prop-1-en-2-ylpyridine (PubChem CID 166484279) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is ethane;2-methyl-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Nameethane;2-methyl-4-prop-1-en-2-ylpyridine
PubChem CID166484279
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Nameethane;2-methyl-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccnc(C)c1.CC
InChIInChI=1S/C9H11N.C2H6/c1-7(2)9-4-5-10-8(3)6-9;1-2/h4-6H,1H2,2-3H3;1-2H3
InChIKeyTUVLCTPRGOIXNN-UHFFFAOYSA-N
XLogP3.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4-prop-1-en-2-ylpyridine?
The IUPAC name of ethane;2-methyl-4-prop-1-en-2-ylpyridine (CID 166484279) is ethane;2-methyl-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for ethane;2-methyl-4-prop-1-en-2-ylpyridine?
The canonical SMILES for ethane;2-methyl-4-prop-1-en-2-ylpyridine is C=C(C)c1ccnc(C)c1.CC.
What is the InChIKey of ethane;2-methyl-4-prop-1-en-2-ylpyridine?
The InChIKey is TUVLCTPRGOIXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-7(2)9-4-5-10-8(3)6-9;1-2/h4-6H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;2-methyl-4-prop-1-en-2-ylpyridine?
ethane;2-methyl-4-prop-1-en-2-ylpyridine has a molecular weight of 163.26 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 166484279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).