(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine

C11H17N — CID 118213913

IUPAC(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine
SMILESC=C1CCN(C)C/C1=C/C=C\C
InChIInChI=1S/C11H17N/c1-4-5-6-11-9-12(3)8-7-10(11)2/h4-6H,2,7-9H2,1,3H3/b5-4-,11-6-
InChIKeyRMGGXBJBOMVETO-QSRWPRAKSA-N
MW163.26 g/mol
LogP2.38
Rot. Bonds1

About (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine

(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine (PubChem CID 118213913) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine
PubChem CID118213913
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine
SMILESC=C1CCN(C)C/C1=C/C=C\C
InChIInChI=1S/C11H17N/c1-4-5-6-11-9-12(3)8-7-10(11)2/h4-6H,2,7-9H2,1,3H3/b5-4-,11-6-
InChIKeyRMGGXBJBOMVETO-QSRWPRAKSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine (CID 118213913) is (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine is C=C1CCN(C)C/C1=C/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine?
The InChIKey is RMGGXBJBOMVETO-QSRWPRAKSA-N. The full InChI is InChI=1S/C11H17N/c1-4-5-6-11-9-12(3)8-7-10(11)2/h4-6H,2,7-9H2,1,3H3/b5-4-,11-6-.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine?
(3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine has a molecular weight of 163.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepiperidine is sourced from PubChem (CID 118213913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).