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

C9H11NO — CID 142450054

IUPAC(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one
SMILESC=C1CNC(=O)/C1=C/C=C\C
InChIInChI=1S/C9H11NO/c1-3-4-5-8-7(2)6-10-9(8)11/h3-5H,2,6H2,1H3,(H,10,11)/b4-3-,8-5+
InChIKeySWIWCOHCPBVWCQ-HMRFFJRGSA-N
MW149.19 g/mol
LogP1.17
Rot. Bonds1

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

(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one (PubChem CID 142450054) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one
PubChem CID142450054
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one
SMILESC=C1CNC(=O)/C1=C/C=C\C
InChIInChI=1S/C9H11NO/c1-3-4-5-8-7(2)6-10-9(8)11/h3-5H,2,6H2,1H3,(H,10,11)/b4-3-,8-5+
InChIKeySWIWCOHCPBVWCQ-HMRFFJRGSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one?
The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one (CID 142450054) is (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one.
What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one?
The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one is C=C1CNC(=O)/C1=C/C=C\C.
What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one?
The InChIKey is SWIWCOHCPBVWCQ-HMRFFJRGSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-4-5-8-7(2)6-10-9(8)11/h3-5H,2,6H2,1H3,(H,10,11)/b4-3-,8-5+.
What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one?
(3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-but-2-enylidene]-4-methylidenepyrrolidin-2-one is sourced from PubChem (CID 142450054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).