1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane

C16H21N3O4 — CID 153330332

IUPAC1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane
SMILESC=C1CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N/C=C\C.CC
InChIInChI=1S/C14H15N3O4.C2H6/c1-3-6-15-12-8(2)7-11(19)17(14(12)21)9-4-5-10(18)16-13(9)20;1-2/h3,6,9H,2,4-5,7H2,1H3,(H,16,18,20);1-2H3/b6-3-,15-12+;
InChIKeyUNBBJJJNSYMOJP-UIKSSKRYSA-N
MW319.36 g/mol
LogP1.11
Rot. Bonds2

About 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane

1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane (PubChem CID 153330332) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane
PubChem CID153330332
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane
SMILESC=C1CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N/C=C\C.CC
InChIInChI=1S/C14H15N3O4.C2H6/c1-3-6-15-12-8(2)7-11(19)17(14(12)21)9-4-5-10(18)16-13(9)20;1-2/h3,6,9H,2,4-5,7H2,1H3,(H,16,18,20);1-2H3/b6-3-,15-12+;
InChIKeyUNBBJJJNSYMOJP-UIKSSKRYSA-N
XLogP1.11
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane 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 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane?
The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane (CID 153330332) is 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane.
What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane?
The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane is C=C1CC(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=N/C=C\C.CC.
What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane?
The InChIKey is UNBBJJJNSYMOJP-UIKSSKRYSA-N. The full InChI is InChI=1S/C14H15N3O4.C2H6/c1-3-6-15-12-8(2)7-11(19)17(14(12)21)9-4-5-10(18)16-13(9)20;1-2/h3,6,9H,2,4-5,7H2,1H3,(H,16,18,20);1-2H3/b6-3-,15-12+;.
What are the key properties of 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane?
1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane has a molecular weight of 319.36 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-3-yl)-4-methylidene-3-[(Z)-prop-1-enyl]iminopiperidine-2,6-dione;ethane is sourced from PubChem (CID 153330332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).