(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione

C11H11NO2 — CID 134559591

IUPAC(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)N(C)C(=O)/C1=C/C=C
InChIInChI=1S/C11H11NO2/c1-4-6-8-9(7-5-2)11(14)12(3)10(8)13/h4-7H,1-2H2,3H3/b8-6+,9-7+
InChIKeyMASSTOHPWLZKQY-CDJQDVQCSA-N
MW189.21 g/mol
LogP1.21
Rot. Bonds2

About (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione

(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione (PubChem CID 134559591) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione
PubChem CID134559591
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)N(C)C(=O)/C1=C/C=C
InChIInChI=1S/C11H11NO2/c1-4-6-8-9(7-5-2)11(14)12(3)10(8)13/h4-7H,1-2H2,3H3/b8-6+,9-7+
InChIKeyMASSTOHPWLZKQY-CDJQDVQCSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethylidene vinylpyrrolidinone
CID 54523064
(3E)-1-ethenyl-3-ethylidenepyrrolidin-2-one
CID 6420603
Variotin B
CID 170990270
N-allylitaconimide
CID 89137080
(3Z)-1-ethyl-3-(2,2,2-trifluoroethylidene)pyrrolidine-2,5-dione
CID 155645817
cis-3-Ethylidene-1-vinyl-2-pyrrolidone
CID 6420668
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
1-[(2E,4E)-hexa-2,4-dienoyl]pyrrolidin-2-one
CID 13011424
N-methylphthalimide rhodamine
CID 129888103
(2E,4E)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-one
CID 134979174
(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,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione (CID 134559591) is (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione is C=C/C=C1/C(=O)N(C)C(=O)/C1=C/C=C.
What is the InChIKey of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione?
The InChIKey is MASSTOHPWLZKQY-CDJQDVQCSA-N. The full InChI is InChI=1S/C11H11NO2/c1-4-6-8-9(7-5-2)11(14)12(3)10(8)13/h4-7H,1-2H2,3H3/b8-6+,9-7+.
What are the key properties of (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione?
(3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione has a molecular weight of 189.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-1-methyl-3,4-bis(prop-2-enylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 134559591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).