ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione

C15H23NO2 — CID 143649128

IUPACethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione
SMILESC=C/C=C\C(=C/C)N1C(=O)C=CC1=O.CC.CC
InChIInChI=1S/C11H11NO2.2C2H6/c1-3-5-6-9(4-2)12-10(13)7-8-11(12)14;2*1-2/h3-8H,1H2,2H3;2*1-2H3/b6-5-,9-4+;;
InChIKeyVZBDJEFGIMNILK-ZPCJORDZSA-N
MW249.35 g/mol
LogP3.61
Rot. Bonds3

About ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione

ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione (PubChem CID 143649128) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione
PubChem CID143649128
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nameethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione
SMILESC=C/C=C\C(=C/C)N1C(=O)C=CC1=O.CC.CC
InChIInChI=1S/C11H11NO2.2C2H6/c1-3-5-6-9(4-2)12-10(13)7-8-11(12)14;2*1-2/h3-8H,1H2,2H3;2*1-2H3/b6-5-,9-4+;;
InChIKeyVZBDJEFGIMNILK-ZPCJORDZSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione;bis(2-methylpropane);1-phenylpyrrole-2,5-dione
CID 145228319
ethane;1-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]pyrrole-2,5-dione
CID 144507908
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dimethylidenepyrrole
CID 134505198
1-[(3E,5E,7Z,9Z)-2,2-dimethylundeca-3,5,7,9-tetraen-5-yl]pyrrole-2,5-dione
CID 163473490
N-acetyl-N-methylacetamide;ethane;(3Z)-hexa-1,3,5-triene;1-methylpyrrole-2,5-dione
CID 145198488
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100
1-[(E)-pent-2-en-3-yl]pyrrole-2,5-dione
CID 126635369
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
(2Z)-N,N-dimethylpenta-2,4-dienamide;ethane
CID 143678790
ethane;1-[(3E,4Z)-3-ethylidenehepta-4,6-dien-2-yl]pyrrolidin-2-one
CID 143332418
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione?
The IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione (CID 143649128) is ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione?
The canonical SMILES for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione is C=C/C=C\C(=C/C)N1C(=O)C=CC1=O.CC.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione?
The InChIKey is VZBDJEFGIMNILK-ZPCJORDZSA-N. The full InChI is InChI=1S/C11H11NO2.2C2H6/c1-3-5-6-9(4-2)12-10(13)7-8-11(12)14;2*1-2/h3-8H,1H2,2H3;2*1-2H3/b6-5-,9-4+;;.
What are the key properties of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione?
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione has a molecular weight of 249.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 143649128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).