N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide

C10H14N2O3 — CID 139708483

IUPACN-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC1CC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)9(14)11-4-3-7-5-8(13)12-10(7)15/h7H,1,3-5H2,2H3,(H,11,14)(H,12,13,15)
InChIKeyUAFVEQFMRRULLD-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.27
Rot. Bonds4

About N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide

N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 139708483) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide
PubChem CID139708483
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC1CC(=O)NC1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)9(14)11-4-3-7-5-8(13)12-10(7)15/h7H,1,3-5H2,2H3,(H,11,14)(H,12,13,15)
InChIKeyUAFVEQFMRRULLD-UHFFFAOYSA-N
XLogP-0.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.27
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'}

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Related Compounds

3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67066617
N-(2-cyclohexylethyl)-2-methylprop-2-enamide
CID 23044860
2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
CID 25143746
azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
CID 172855490
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
CID 28605219
2-methyl-N-[[6-[(2-methylprop-2-enoylamino)methyl]-2-oxo-1,3-diazinan-4-yl]methyl]prop-2-enamide
CID 19767330
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
CID 135223244

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide (CID 139708483) is N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCC1CC(=O)NC1=O.
What is the InChIKey of N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is UAFVEQFMRRULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)9(14)11-4-3-7-5-8(13)12-10(7)15/h7H,1,3-5H2,2H3,(H,11,14)(H,12,13,15).
What are the key properties of N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide?
N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 210.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139708483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).