(2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide

C16H26N2O6 — CID 165406967

IUPAC(2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide
SMILESCC.CC(=O)ON1C(=O)CCC1=O.CC(C)N(C)C(=O)/C=C\C=O
InChIInChI=1S/C8H13NO2.C6H7NO4.C2H6/c1-7(2)9(3)8(11)5-4-6-10;1-4(8)11-7-5(9)2-3-6(7)10;1-2/h4-7H,1-3H3;2-3H2,1H3;1-2H3/b5-4-;;
InChIKeyCOLFPVYGKFXCTA-WNCVTPEDSA-N
MW342.39 g/mol
LogP1.25
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide

(2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide (PubChem CID 165406967) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide
PubChem CID165406967
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name(2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide
SMILESCC.CC(=O)ON1C(=O)CCC1=O.CC(C)N(C)C(=O)/C=C\C=O
InChIInChI=1S/C8H13NO2.C6H7NO4.C2H6/c1-7(2)9(3)8(11)5-4-6-10;1-4(8)11-7-5(9)2-3-6(7)10;1-2/h4-7H,1-3H3;2-3H2,1H3;1-2H3/b5-4-;;
InChIKeyCOLFPVYGKFXCTA-WNCVTPEDSA-N
XLogP1.25
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide 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

(2,5-dioxopyrrolidin-1-yl) 3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoate
CID 134255878
(2,5-dioxopyrrolidin-1-yl) 3-[[(Z)-but-2-enoyl]-formylamino]propanoate
CID 134467209
(2,5-dioxopyrrolidin-1-yl) 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 139457947
3-(2,5-dioxopyrrol-1-yl)propanal;N-methoxy-N-methyl-4-oxobutanamide
CID 142465060
3-(2,5-Dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
CID 142492006
(2,5-Dioxopyrrolidin-1-yl) acetate;ethane;1-methylpyrrole-2,5-dione
CID 143751253
ethane;[methyl(4-oxobutanoyl)amino] acetate;1-methyl-2H-pyrrol-5-one
CID 144648049
[methyl(4-oxobutanoyl)amino] formate;(Z)-N-methyl-4-oxo-N-propylbut-2-enamide
CID 144980202
(2,5-Dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate;ethane
CID 145389696
(Z)-but-2-enedial;(2,5-dioxopyrrolidin-1-yl) 3-(dimethylamino)propanoate
CID 153373433
[methyl(4-oxobutanoyl)amino] 4-[[(Z)-but-2-enoyl]-formylamino]butanoate
CID 155444709
(2,5-dioxopyrrolidin-1-yl) 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate;ethane
CID 155696534

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide (CID 165406967) is (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide is CC.CC(=O)ON1C(=O)CCC1=O.CC(C)N(C)C(=O)/C=C\C=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide?
The InChIKey is COLFPVYGKFXCTA-WNCVTPEDSA-N. The full InChI is InChI=1S/C8H13NO2.C6H7NO4.C2H6/c1-7(2)9(3)8(11)5-4-6-10;1-4(8)11-7-5(9)2-3-6(7)10;1-2/h4-7H,1-3H3;2-3H2,1H3;1-2H3/b5-4-;;.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide?
(2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide has a molecular weight of 342.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) acetate;ethane;(Z)-N-methyl-4-oxo-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 165406967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).