1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione

C19H30N4O5 — CID 159504382

IUPAC1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCN2CCNC2=O)C1=O.CCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15N3O3.C9H15NO2/c1-7-6-8(14)13(9(7)15)5-4-12-3-2-11-10(12)16;1-3-4-5-10-8(11)6-7(2)9(10)12/h7H,2-6H2,1H3,(H,11,16);7H,3-6H2,1-2H3
InChIKeyLZUHNZOAKWKTHP-UHFFFAOYSA-N
MW394.47 g/mol
LogP0.59
Rot. Bonds6

About 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione

1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 159504382) has the molecular formula C19H30N4O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID159504382
Molecular FormulaC19H30N4O5
Molecular Weight394.47 g/mol
Exact Mass394.22
IUPAC Name1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCN2CCNC2=O)C1=O.CCCCN1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15N3O3.C9H15NO2/c1-7-6-8(14)13(9(7)15)5-4-12-3-2-11-10(12)16;1-3-4-5-10-8(11)6-7(2)9(10)12/h7H,2-6H2,1H3,(H,11,16);7H,3-6H2,1-2H3
InChIKeyLZUHNZOAKWKTHP-UHFFFAOYSA-N
XLogP0.59
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553
4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanal
CID 142459626
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
1-[3-(diethylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 167599335
1-(6-chlorohexyl)-3-methylpyrrolidine-2,5-dione
CID 62227239
1-butyl-1,3-diazepan-2-one
CID 150099536
CID 59941556
CID 59941556
1-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]imidazolidin-2-one
CID 104977313
1-(3-methylheptyl)imidazolidin-2-one
CID 130253756

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 159504382) is 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione is CC1CC(=O)N(CCN2CCNC2=O)C1=O.CCCCN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is LZUHNZOAKWKTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.C9H15NO2/c1-7-6-8(14)13(9(7)15)5-4-12-3-2-11-10(12)16;1-3-4-5-10-8(11)6-7(2)9(10)12/h7H,2-6H2,1H3,(H,11,16);7H,3-6H2,1-2H3.
What are the key properties of 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 394.47 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159504382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).