(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one

C10H13NO — CID 129197273

IUPAC(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one
SMILESC/C=C\C=C1\NC(=O)C\C1=C\C
InChIInChI=1S/C10H13NO/c1-3-5-6-9-8(4-2)7-10(12)11-9/h3-6H,7H2,1-2H3,(H,11,12)/b5-3-,8-4-,9-6+
InChIKeyGEABXDVASUTDJD-UWXVWKBMSA-N
MW163.22 g/mol
LogP1.91
Rot. Bonds1

About (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one

(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one (PubChem CID 129197273) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one
PubChem CID129197273
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one
SMILESC/C=C\C=C1\NC(=O)C\C1=C\C
InChIInChI=1S/C10H13NO/c1-3-5-6-9-8(4-2)7-10(12)11-9/h3-6H,7H2,1-2H3,(H,11,12)/b5-3-,8-4-,9-6+
InChIKeyGEABXDVASUTDJD-UWXVWKBMSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one?
The IUPAC name of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one (CID 129197273) is (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one?
The canonical SMILES for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one is C/C=C\C=C1\NC(=O)C\C1=C\C.
What is the InChIKey of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one?
The InChIKey is GEABXDVASUTDJD-UWXVWKBMSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-6-9-8(4-2)7-10(12)11-9/h3-6H,7H2,1-2H3,(H,11,12)/b5-3-,8-4-,9-6+.
What are the key properties of (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one?
(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidenepyrrolidin-2-one is sourced from PubChem (CID 129197273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).