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

C12H17NO — CID 146527350

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 CID146527350
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(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
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5,9-dimethyl-1-pyrrolidin-1-yldeca-2,4,8-trien-1-one
CID 44561466
Ethylidene vinylpyrrolidinone
CID 54523064
(3E)-1-ethenyl-3-ethylidenepyrrolidin-2-one
CID 6420603
Variotin B
CID 170990270
cis-3-Ethylidene-1-vinyl-2-pyrrolidone
CID 6420668
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
(2E,4E)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-one
CID 134979174
(2E,4E)-1-pyrrolidin-1-ylocta-2,4,7-trien-1-one
CID 134988556
1-[(E,3S)-hept-4-en-3-yl]pyrrolidin-2-one
CID 162416860
1-[(E,3R)-hept-4-en-3-yl]pyrrolidin-2-one
CID 162417010
(2E,4Z)-N-ethyl-6-fluoro-N-methyl-2-prop-2-enylidenehepta-4,6-dienamide
CID 143348564
(2E)-1-(3-fluoropyrrolidin-1-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-one
CID 144370049

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).