1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione

C8H12N2O3 — CID 89079228

IUPAC1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
SMILESCNCC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O3/c1-9-4-6(11)5-10-7(12)2-3-8(10)13/h9H,2-5H2,1H3
InChIKeyBANTXJXECYQADO-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.08
Rot. Bonds4

About 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione

1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 89079228) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
PubChem CID89079228
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
SMILESCNCC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O3/c1-9-4-6(11)5-10-7(12)2-3-8(10)13/h9H,2-5H2,1H3
InChIKeyBANTXJXECYQADO-UHFFFAOYSA-N
XLogP-1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-bromoethylamino)-2-oxobutyl]pyrrolidine-2,5-dione
CID 167362911
methyl (E)-4-(2,5-dioxopyrrolidin-1-yl)-3-methoxybut-2-enoate
CID 5355109
2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
CID 142287139
[2-(2,5-dioxopyrrolidin-1-yl)ethanethioyl] acetate
CID 87965610
(2,5-dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 89197439
4-[(2,5-dioxopyrrolidin-1-yl)methylamino]-4-oxobutanoic acid;ethane;propane
CID 90799203
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
ethane;1-(3-oxopentyl)pyrrolidine-2,5-dione
CID 145339436
CID 6374952
CID 6374952
6-(2,5-dioxopyrrolidin-1-yl)-2-(hexadecanoylamino)-5-oxohexanoic acid
CID 170653244
1-phenacylpyrrolidine-2,5-dione
CID 717114
4-[6-(methylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxobutanenitrile
CID 117038333

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione (CID 89079228) is 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione is CNCC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is BANTXJXECYQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-9-4-6(11)5-10-7(12)2-3-8(10)13/h9H,2-5H2,1H3.
What are the key properties of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 184.19 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 89079228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).