4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine

C15H24N2 — CID 145480799

IUPAC4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine
SMILESC=C1CCN(C2CCN(C)CC2)/C1=C/C=C\C
InChIInChI=1S/C15H24N2/c1-4-5-6-15-13(2)7-12-17(15)14-8-10-16(3)11-9-14/h4-6,14H,2,7-12H2,1,3H3/b5-4-,15-6+
InChIKeyFLOJQCFFECKKQF-AIGAIXFVSA-N
MW232.37 g/mol
LogP2.80
Rot. Bonds2

About 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine

4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine (PubChem CID 145480799) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine
PubChem CID145480799
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine
SMILESC=C1CCN(C2CCN(C)CC2)/C1=C/C=C\C
InChIInChI=1S/C15H24N2/c1-4-5-6-15-13(2)7-12-17(15)14-8-10-16(3)11-9-14/h4-6,14H,2,7-12H2,1,3H3/b5-4-,15-6+
InChIKeyFLOJQCFFECKKQF-AIGAIXFVSA-N
XLogP2.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine (CID 145480799) is 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine is C=C1CCN(C2CCN(C)CC2)/C1=C/C=C\C.
What is the InChIKey of 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine?
The InChIKey is FLOJQCFFECKKQF-AIGAIXFVSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-5-6-15-13(2)7-12-17(15)14-8-10-16(3)11-9-14/h4-6,14H,2,7-12H2,1,3H3/b5-4-,15-6+.
What are the key properties of 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine?
4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine has a molecular weight of 232.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine is sourced from PubChem (CID 145480799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).