ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one

C13H19NO — CID 155715105

IUPACethane;4-(6-ethenyl-2-pyridinyl)butan-2-one
SMILESC=Cc1cccc(CCC(C)=O)n1.CC
InChIInChI=1S/C11H13NO.C2H6/c1-3-10-5-4-6-11(12-10)8-7-9(2)13;1-2/h3-6H,1,7-8H2,2H3;1-2H3
InChIKeyILXMWUWMGCTDCP-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.27
Rot. Bonds4

About ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one

ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one (PubChem CID 155715105) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one.

Molecular Properties

Compound Nameethane;4-(6-ethenyl-2-pyridinyl)butan-2-one
PubChem CID155715105
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;4-(6-ethenyl-2-pyridinyl)butan-2-one
SMILESC=Cc1cccc(CCC(C)=O)n1.CC
InChIInChI=1S/C11H13NO.C2H6/c1-3-10-5-4-6-11(12-10)8-7-9(2)13;1-2/h3-6H,1,7-8H2,2H3;1-2H3
InChIKeyILXMWUWMGCTDCP-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one?
The IUPAC name of ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one (CID 155715105) is ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one.
What is the SMILES notation for ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one?
The canonical SMILES for ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one is C=Cc1cccc(CCC(C)=O)n1.CC.
What is the InChIKey of ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one?
The InChIKey is ILXMWUWMGCTDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-3-10-5-4-6-11(12-10)8-7-9(2)13;1-2/h3-6H,1,7-8H2,2H3;1-2H3.
What are the key properties of ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one?
ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one has a molecular weight of 205.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(6-ethenyl-2-pyridinyl)butan-2-one is sourced from PubChem (CID 155715105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).