(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane

C17H25NO2 — CID 176565329

IUPAC(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane
SMILESC/C=C\C=c1\[nH]c(CC)c(C(C)=O)c(=O)\c1=C\C.CC
InChIInChI=1S/C15H19NO2.C2H6/c1-5-8-9-13-11(6-2)15(18)14(10(4)17)12(7-3)16-13;1-2/h5-6,8-9,16H,7H2,1-4H3;1-2H3/b8-5-,11-6+,13-9+;
InChIKeyPUCIFAVIEBJMAQ-JTLGAVOASA-N
MW275.39 g/mol
LogP2.32
Rot. Bonds3

About (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane

(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane (PubChem CID 176565329) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane.

Molecular Properties

Compound Name(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane
PubChem CID176565329
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane
SMILESC/C=C\C=c1\[nH]c(CC)c(C(C)=O)c(=O)\c1=C\C.CC
InChIInChI=1S/C15H19NO2.C2H6/c1-5-8-9-13-11(6-2)15(18)14(10(4)17)12(7-3)16-13;1-2/h5-6,8-9,16H,7H2,1-4H3;1-2H3/b8-5-,11-6+,13-9+;
InChIKeyPUCIFAVIEBJMAQ-JTLGAVOASA-N
XLogP2.32
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane?
The IUPAC name of (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane (CID 176565329) is (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane.
What is the SMILES notation for (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane?
The canonical SMILES for (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane is C/C=C\C=c1\[nH]c(CC)c(C(C)=O)c(=O)\c1=C\C.CC.
What is the InChIKey of (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane?
The InChIKey is PUCIFAVIEBJMAQ-JTLGAVOASA-N. The full InChI is InChI=1S/C15H19NO2.C2H6/c1-5-8-9-13-11(6-2)15(18)14(10(4)17)12(7-3)16-13;1-2/h5-6,8-9,16H,7H2,1-4H3;1-2H3/b8-5-,11-6+,13-9+;.
What are the key properties of (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane?
(2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane has a molecular weight of 275.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-5-acetyl-2-[(Z)-but-2-enylidene]-6-ethyl-3-ethylidene-1H-pyridin-4-one;ethane is sourced from PubChem (CID 176565329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).