1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone

C12H17NO — CID 143036444

IUPAC1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone
SMILESC=CC1=C(C=C)C(C(C)=O)N(C)CC1
InChIInChI=1S/C12H17NO/c1-5-10-7-8-13(4)12(9(3)14)11(10)6-2/h5-6,12H,1-2,7-8H2,3-4H3
InChIKeyZDVLTAFBUJAJQG-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.95
Rot. Bonds3

About 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone

1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone (PubChem CID 143036444) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone
PubChem CID143036444
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone
SMILESC=CC1=C(C=C)C(C(C)=O)N(C)CC1
InChIInChI=1S/C12H17NO/c1-5-10-7-8-13(4)12(9(3)14)11(10)6-2/h5-6,12H,1-2,7-8H2,3-4H3
InChIKeyZDVLTAFBUJAJQG-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone?
The IUPAC name of 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone (CID 143036444) is 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone?
The canonical SMILES for 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone is C=CC1=C(C=C)C(C(C)=O)N(C)CC1.
What is the InChIKey of 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone?
The InChIKey is ZDVLTAFBUJAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-10-7-8-13(4)12(9(3)14)11(10)6-2/h5-6,12H,1-2,7-8H2,3-4H3.
What are the key properties of 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone?
1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone has a molecular weight of 191.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(ethenyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]ethanone is sourced from PubChem (CID 143036444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).