(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one

C11H13NO2 — CID 88944632

IUPAC(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1/C(=C\C=C/C)CC(=O)N1C(C)=O
InChIInChI=1S/C11H13NO2/c1-4-5-6-10-7-11(14)12(8(10)2)9(3)13/h4-6H,2,7H2,1,3H3/b5-4-,10-6-
InChIKeyNHUDNPPQQMLIGV-ARSRRCBKSA-N
MW191.23 g/mol
LogP1.78
Rot. Bonds1

About (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one

(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 88944632) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one
PubChem CID88944632
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1/C(=C\C=C/C)CC(=O)N1C(C)=O
InChIInChI=1S/C11H13NO2/c1-4-5-6-10-7-11(14)12(8(10)2)9(3)13/h4-6H,2,7H2,1,3H3/b5-4-,10-6-
InChIKeyNHUDNPPQQMLIGV-ARSRRCBKSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one (CID 88944632) is (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one is C=C1/C(=C\C=C/C)CC(=O)N1C(C)=O.
What is the InChIKey of (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is NHUDNPPQQMLIGV-ARSRRCBKSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-5-6-10-7-11(14)12(8(10)2)9(3)13/h4-6H,2,7H2,1,3H3/b5-4-,10-6-.
What are the key properties of (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one?
(4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 88944632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).