(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one

Name: (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₇NO — CID 146527350

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one

SMILESC=C1CN(C(C)C)C(=O)/C1=C/C=C\C

InChIInChI=1S/C12H17NO/c1-5-6-7-11-10(4)8-13(9(2)3)12(11)14/h5-7,9H,4,8H2,1-3H3/b6-5-,11-7+

InChIKeyZFOUIYZTUXAVBW-GNLLZQBYSA-N

MW191.27 g/mol

LogP2.30

Rot. Bonds2

About (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one

(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one (PubChem CID 146527350) has the molecular formula C₁₂H₁₇NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name	(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one
PubChem CID	146527350
Molecular Formula	C₁₂H₁₇NO
Molecular Weight	191.27 g/mol
Exact Mass	191.13
IUPAC Name	(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one
SMILES	C=C1CN(C(C)C)C(=O)/C1=C/C=C\C
InChI	InChI=1S/C12H17NO/c1-5-6-7-11-10(4)8-13(9(2)3)12(11)14/h5-7,9H,4,8H2,1-3H3/b6-5-,11-7+
InChIKey	ZFOUIYZTUXAVBW-GNLLZQBYSA-N
XLogP	2.30
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	191.27
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one?

The IUPAC name of (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one (CID 146527350) is (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one is C=C1CN(C(C)C)C(=O)/C1=C/C=C\C.

What is the InChIKey of (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one?

The InChIKey is ZFOUIYZTUXAVBW-GNLLZQBYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-6-7-11-10(4)8-13(9(2)3)12(11)14/h5-7,9H,4,8H2,1-3H3/b6-5-,11-7+.

What are the key properties of (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one?

(3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-3-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 146527350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 146527350 — identifiers, structure, computed properties (public domain)

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