ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone

C11H17NO — CID 166484260

IUPACethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone
SMILESC=C1CC(C)=NC=C1C(C)=O.CC
InChIInChI=1S/C9H11NO.C2H6/c1-6-4-7(2)10-5-9(6)8(3)11;1-2/h5H,1,4H2,2-3H3;1-2H3
InChIKeyJPHASVROZCYGQM-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds1

About ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone

ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone (PubChem CID 166484260) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone
PubChem CID166484260
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone
SMILESC=C1CC(C)=NC=C1C(C)=O.CC
InChIInChI=1S/C9H11NO.C2H6/c1-6-4-7(2)10-5-9(6)8(3)11;1-2/h5H,1,4H2,2-3H3;1-2H3
InChIKeyJPHASVROZCYGQM-UHFFFAOYSA-N
XLogP2.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone?
The IUPAC name of ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone (CID 166484260) is ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone.
What is the SMILES notation for ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone?
The canonical SMILES for ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone is C=C1CC(C)=NC=C1C(C)=O.CC.
What is the InChIKey of ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone?
The InChIKey is JPHASVROZCYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H6/c1-6-4-7(2)10-5-9(6)8(3)11;1-2/h5H,1,4H2,2-3H3;1-2H3.
What are the key properties of ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone?
ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone has a molecular weight of 179.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methyl-4-methylidene-3H-pyridin-5-yl)ethanone is sourced from PubChem (CID 166484260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).