3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione

C18H19N3O4 — CID 170614961

IUPAC3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione
SMILESC=C/C(=C\C=C/C)c1coc2c1NCC(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C18H19N3O4/c1-3-5-6-11(4-2)12-10-25-18-16(12)19-9-15(23)21(18)13-7-8-14(22)20-17(13)24/h3-6,10,13,19H,2,7-9H2,1H3,(H,20,22,24)/b5-3-,11-6+
InChIKeyRPIOWHICBLZQPT-GGKXIICKSA-N
MW341.37 g/mol
LogP1.99
Rot. Bonds4

About 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione

3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione (PubChem CID 170614961) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione
PubChem CID170614961
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione
SMILESC=C/C(=C\C=C/C)c1coc2c1NCC(=O)N2C1CCC(=O)NC1=O
InChIInChI=1S/C18H19N3O4/c1-3-5-6-11(4-2)12-10-25-18-16(12)19-9-15(23)21(18)13-7-8-14(22)20-17(13)24/h3-6,10,13,19H,2,7-9H2,1H3,(H,20,22,24)/b5-3-,11-6+
InChIKeyRPIOWHICBLZQPT-GGKXIICKSA-N
XLogP1.99
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-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

3-(3-Oxo-7-phenyl-1,2-dihydrofuro[2,3-b]pyrazin-4-yl)pyrrolidine-2,5-dione
CID 170614976
3-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)piperidine-2,6-dione
CID 170615009
1-(7-phenyl-2,3-dihydro-1H-furo[2,3-b]pyrazin-4-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
CID 170615053
(2S)-2-[(2S)-butan-2-yl]-3-oxo-2,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
CID 82375647
(3S)-3-[(2S)-butan-2-yl]-2-oxo-3,4-dihydro-1H-furo[2,3-b]pyrazine-6-carbaldehyde
CID 82375648
2-benzyl-4-methyl-2,3-dihydro-1H-furo[2,3-b]pyrazine
CID 82377360

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione (CID 170614961) is 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione is C=C/C(=C\C=C/C)c1coc2c1NCC(=O)N2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione?
The InChIKey is RPIOWHICBLZQPT-GGKXIICKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-5-6-11(4-2)12-10-25-18-16(12)19-9-15(23)21(18)13-7-8-14(22)20-17(13)24/h3-6,10,13,19H,2,7-9H2,1H3,(H,20,22,24)/b5-3-,11-6+.
What are the key properties of 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione?
3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione has a molecular weight of 341.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-oxo-1,2-dihydrofuro[2,3-b]pyrazin-4-yl]piperidine-2,6-dione is sourced from PubChem (CID 170614961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).