(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine

C21H24N2 — CID 174103242

IUPAC(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine
SMILESC=CC=c1c(=C/C)/c(=C\C=C/C)c(=N/C=C)/n(C=C)/c1=C/C=C
InChIInChI=1S/C21H24N2/c1-7-13-16-19-17(10-4)18(14-8-2)20(15-9-3)23(12-6)21(19)22-11-5/h7-16H,2-3,5-6H2,1,4H3/b13-7-,17-10-,18-14?,19-16+,20-15+,22-21-
InChIKeyWNGDOPXPTGUTSV-YESFHMHMSA-N
MW304.44 g/mol
LogP1.72
Rot. Bonds5

About (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine

(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine (PubChem CID 174103242) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine.

Molecular Properties

Compound Name(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine
PubChem CID174103242
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine
SMILESC=CC=c1c(=C/C)/c(=C\C=C/C)c(=N/C=C)/n(C=C)/c1=C/C=C
InChIInChI=1S/C21H24N2/c1-7-13-16-19-17(10-4)18(14-8-2)20(15-9-3)23(12-6)21(19)22-11-5/h7-16H,2-3,5-6H2,1,4H3/b13-7-,17-10-,18-14?,19-16+,20-15+,22-21-
InChIKeyWNGDOPXPTGUTSV-YESFHMHMSA-N
XLogP1.72
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine?
The IUPAC name of (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine (CID 174103242) is (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine.
What is the SMILES notation for (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine?
The canonical SMILES for (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine is C=CC=c1c(=C/C)/c(=C\C=C/C)c(=N/C=C)/n(C=C)/c1=C/C=C.
What is the InChIKey of (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine?
The InChIKey is WNGDOPXPTGUTSV-YESFHMHMSA-N. The full InChI is InChI=1S/C21H24N2/c1-7-13-16-19-17(10-4)18(14-8-2)20(15-9-3)23(12-6)21(19)22-11-5/h7-16H,2-3,5-6H2,1,4H3/b13-7-,17-10-,18-14?,19-16+,20-15+,22-21-.
What are the key properties of (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine?
(3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine has a molecular weight of 304.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z,6E)-3-[(Z)-but-2-enylidene]-N,1-bis(ethenyl)-4-ethylidene-5,6-bis(prop-2-enylidene)piperidin-2-imine is sourced from PubChem (CID 174103242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).