[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium

C10H12N3O2+ — CID 170003315

IUPAC[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
SMILESC#[N+]/C=N/C(=C\C)C1CCC(=O)NC1=O
InChIInChI=1S/C10H11N3O2/c1-3-8(12-6-11-2)7-4-5-9(14)13-10(7)15/h2-3,6-7H,4-5H2,1H3/p+1/b8-3-,12-6+
InChIKeyNHXOJTMLEPTSQR-NSRAGWQASA-O
MW206.22 g/mol
LogP0.93
Rot. Bonds2

About [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium

[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium (PubChem CID 170003315) has the molecular formula C10H12N3O2+ and a molecular weight of 206.22 g/mol. Its IUPAC name is [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium.

Molecular Properties

Compound Name[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
PubChem CID170003315
Molecular FormulaC10H12N3O2+
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium
SMILESC#[N+]/C=N/C(=C\C)C1CCC(=O)NC1=O
InChIInChI=1S/C10H11N3O2/c1-3-8(12-6-11-2)7-4-5-9(14)13-10(7)15/h2-3,6-7H,4-5H2,1H3/p+1/b8-3-,12-6+
InChIKeyNHXOJTMLEPTSQR-NSRAGWQASA-O
XLogP0.93
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium 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

(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
ethane;N'-(2-methylprop-1-enyl)-2,6-dioxopiperidine-3-carboximidamide
CID 171565054
ethane;3-[(2Z)-1-methyliminopenta-2,4-dien-2-yl]piperidine-2,6-dione
CID 172570194
ethane;3-[C-ethenyl-N-(2-methylprop-1-enyl)carbonimidoyl]piperidine-2,6-dione
CID 177338978
3-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]piperidine-2,6-dione
CID 171565227
3-methylsulfonylpiperidine-2,6-dione
CID 155635001
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
3-methylsulfinylpiperidine-2,6-dione
CID 155634994
N-(2-fluorophenyl)-2,6-dioxopiperidine-3-carboxamide
CID 138460839
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium?
The IUPAC name of [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium (CID 170003315) is [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium.
What is the SMILES notation for [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium?
The canonical SMILES for [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium is C#[N+]/C=N/C(=C\C)C1CCC(=O)NC1=O.
What is the InChIKey of [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium?
The InChIKey is NHXOJTMLEPTSQR-NSRAGWQASA-O. The full InChI is InChI=1S/C10H11N3O2/c1-3-8(12-6-11-2)7-4-5-9(14)13-10(7)15/h2-3,6-7H,4-5H2,1H3/p+1/b8-3-,12-6+.
What are the key properties of [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium?
[(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium has a molecular weight of 206.22 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2,6-dioxopiperidin-3-yl)prop-1-enyl]iminomethyl-methylidyneazanium is sourced from PubChem (CID 170003315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).