(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione

C15H19NO2 — CID 145377813

IUPAC(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione
SMILESC/C=C1/C(=O)N(C(/C=C\CC)=C/C)C(=O)/C1=C/C
InChIInChI=1S/C15H19NO2/c1-5-9-10-11(6-2)16-14(17)12(7-3)13(8-4)15(16)18/h6-10H,5H2,1-4H3/b10-9-,11-6+,12-7+,13-8+
InChIKeyMZMSRXLDNHZOHT-NEEDLKESSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds3

About (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione

(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione (PubChem CID 145377813) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione
PubChem CID145377813
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione
SMILESC/C=C1/C(=O)N(C(/C=C\CC)=C/C)C(=O)/C1=C/C
InChIInChI=1S/C15H19NO2/c1-5-9-10-11(6-2)16-14(17)12(7-3)13(8-4)15(16)18/h6-10H,5H2,1-4H3/b10-9-,11-6+,12-7+,13-8+
InChIKeyMZMSRXLDNHZOHT-NEEDLKESSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hexa-2,4-dien-3-yl]pyrrolidine-2,5-dione
CID 138574886
(3E,4E)-3-ethylidene-1-methyl-4-propylidenepyrrolidine-2,5-dione
CID 130413151
sodium pent-2-enoate
CID 141188038
pentasodium;pentakis((E)-pent-2-enoate)
CID 91885279
2-[(2E,4Z)-6-hydroxyhexa-2,4-dien-3-yl]-5-[(E)-prop-1-enoxy]isoindole-1,3-dione
CID 143556330
(E)-pent-2-enoic acid
CID 638122
3-ethylidenehept-4-en-2-one
CID 123873548
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
ethane;ethene;(E)-pent-2-ene
CID 154666573
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
nitrous acid;pent-2-ene
CID 87504144

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione (CID 145377813) is (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione is C/C=C1/C(=O)N(C(/C=C\CC)=C/C)C(=O)/C1=C/C.
What is the InChIKey of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione?
The InChIKey is MZMSRXLDNHZOHT-NEEDLKESSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-9-10-11(6-2)16-14(17)12(7-3)13(8-4)15(16)18/h6-10H,5H2,1-4H3/b10-9-,11-6+,12-7+,13-8+.
What are the key properties of (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione?
(3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3,4-di(ethylidene)-1-[(2E,4Z)-hepta-2,4-dien-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 145377813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).