(4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one

C9H13NO — CID 88931059

IUPAC(4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one
SMILESC/C=C/C=C1/CNC(=O)C1C
InChIInChI=1S/C9H13NO/c1-3-4-5-8-6-10-9(11)7(8)2/h3-5,7H,6H2,1-2H3,(H,10,11)/b4-3+,8-5-
InChIKeyGOULADDPXWWLPX-LHOHZTISSA-N
MW151.21 g/mol
LogP1.25
Rot. Bonds1

About (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one

(4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one (PubChem CID 88931059) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one
PubChem CID88931059
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one
SMILESC/C=C/C=C1/CNC(=O)C1C
InChIInChI=1S/C9H13NO/c1-3-4-5-8-6-10-9(11)7(8)2/h3-5,7H,6H2,1-2H3,(H,10,11)/b4-3+,8-5-
InChIKeyGOULADDPXWWLPX-LHOHZTISSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one?
The IUPAC name of (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one (CID 88931059) is (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one?
The canonical SMILES for (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one is C/C=C/C=C1/CNC(=O)C1C.
What is the InChIKey of (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one?
The InChIKey is GOULADDPXWWLPX-LHOHZTISSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-8-6-10-9(11)7(8)2/h3-5,7H,6H2,1-2H3,(H,10,11)/b4-3+,8-5-.
What are the key properties of (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one?
(4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(E)-but-2-enylidene]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 88931059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).