1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone

C12H15NO — CID 142300680

IUPAC1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone
SMILESC=CN1C(C(C)=O)=C(C)C=C/C1=C/C
InChIInChI=1S/C12H15NO/c1-5-11-8-7-9(3)12(10(4)14)13(11)6-2/h5-8H,2H2,1,3-4H3/b11-5-
InChIKeyWRHHFDBMFMWNPD-WZUFQYTHSA-N
MW189.26 g/mol
LogP2.77
Rot. Bonds2

About 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone

1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone (PubChem CID 142300680) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone
PubChem CID142300680
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone
SMILESC=CN1C(C(C)=O)=C(C)C=C/C1=C/C
InChIInChI=1S/C12H15NO/c1-5-11-8-7-9(3)12(10(4)14)13(11)6-2/h5-8H,2H2,1,3-4H3/b11-5-
InChIKeyWRHHFDBMFMWNPD-WZUFQYTHSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone?
The IUPAC name of 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone (CID 142300680) is 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone?
The canonical SMILES for 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone is C=CN1C(C(C)=O)=C(C)C=C/C1=C/C.
What is the InChIKey of 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone?
The InChIKey is WRHHFDBMFMWNPD-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H15NO/c1-5-11-8-7-9(3)12(10(4)14)13(11)6-2/h5-8H,2H2,1,3-4H3/b11-5-.
What are the key properties of 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone?
1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone has a molecular weight of 189.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethanone is sourced from PubChem (CID 142300680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).