3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione

C14H15N3O4 — CID 144947806

IUPAC3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC/C=C\N=C1\C(=O)N(C2CCC(=O)NC2=O)C(=O)\C1=C\C
InChIInChI=1S/C14H15N3O4/c1-3-7-15-11-8(4-2)13(20)17(14(11)21)9-5-6-10(18)16-12(9)19/h3-4,7,9H,5-6H2,1-2H3,(H,16,18,19)/b7-3-,8-4+,15-11+
InChIKeyLSGYFWCYNNDRAX-AVXKTZCDSA-N
MW289.29 g/mol
LogP0.08
Rot. Bonds2

About 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione

3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 144947806) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID144947806
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC/C=C\N=C1\C(=O)N(C2CCC(=O)NC2=O)C(=O)\C1=C\C
InChIInChI=1S/C14H15N3O4/c1-3-7-15-11-8(4-2)13(20)17(14(11)21)9-5-6-10(18)16-12(9)19/h3-4,7,9H,5-6H2,1-2H3,(H,16,18,19)/b7-3-,8-4+,15-11+
InChIKeyLSGYFWCYNNDRAX-AVXKTZCDSA-N
XLogP0.08
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-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

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione (CID 144947806) is 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione is C/C=C\N=C1\C(=O)N(C2CCC(=O)NC2=O)C(=O)\C1=C\C.
What is the InChIKey of 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is LSGYFWCYNNDRAX-AVXKTZCDSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-3-7-15-11-8(4-2)13(20)17(14(11)21)9-5-6-10(18)16-12(9)19/h3-4,7,9H,5-6H2,1-2H3,(H,16,18,19)/b7-3-,8-4+,15-11+.
What are the key properties of 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 289.29 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-ethylidene-2,5-dioxo-4-[(Z)-prop-1-enyl]iminopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 144947806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).