(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

C12H18N2O3 — CID 154709685

IUPAC(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)/C=C1\CC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-7(2)6-13-11(16)8(3)4-9-5-10(15)14-12(9)17/h4,7-8H,5-6H2,1-3H3,(H,13,16)(H,14,15,17)/b9-4+
InChIKeyPURHGUCYHKTZGP-RUDMXATFSA-N
MW238.29 g/mol
LogP0.37
Rot. Bonds4

About (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide

(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 154709685) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID154709685
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)/C=C1\CC(=O)NC1=O
InChIInChI=1S/C12H18N2O3/c1-7(2)6-13-11(16)8(3)4-9-5-10(15)14-12(9)17/h4,7-8H,5-6H2,1-3H3,(H,13,16)(H,14,15,17)/b9-4+
InChIKeyPURHGUCYHKTZGP-RUDMXATFSA-N
XLogP0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide 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

(E)-3-Ethylidenepyrrolidin-2-one
CID 20088381
(2E)-3,7-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]octa-2,6-dienamide
CID 44756509
3-Ethylidenepyrrolidin-2-one
CID 53701396
(3Z)-3-ethylidenepyrrolidin-2-one
CID 5317249
(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
CID 131243894
Aminoethylmaleimide
CID 66887284
(Z)-3-Ethylidene-4-methyl-2,5-pyrrolidinedione
CID 71468111
2-methyl-N-(3-pyrrolidin-1-ylpropyl)pent-2-enamide
CID 72156044
3-Ethylidene-4-methylpyrrolidine-2,5-dione
CID 53439587
(3E)-N-cyclohexyl-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)propanamide
CID 154710873
(3E)-2-methyl-3-(1-methyl-2,5-dioxopyrrolidin-3-ylidene)-N-(2-methylpropyl)propanamide
CID 154711077
(3E)-3-(1-ethyl-2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide
CID 154711150

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide (CID 154709685) is (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)/C=C1\CC(=O)NC1=O.
What is the InChIKey of (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is PURHGUCYHKTZGP-RUDMXATFSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)6-13-11(16)8(3)4-9-5-10(15)14-12(9)17/h4,7-8H,5-6H2,1-3H3,(H,13,16)(H,14,15,17)/b9-4+.
What are the key properties of (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide?
(3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,5-dioxopyrrolidin-3-ylidene)-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 154709685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).