bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one

C16H31N5O3 — CID 161460634

IUPACbis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one
SMILESCC1CCN(C)C1=O.CN1CCN(C)C1=O.CN1CCN(C)C1=O
InChIInChI=1S/C6H11NO.2C5H10N2O/c1-5-3-4-7(2)6(5)8;2*1-6-3-4-7(2)5(6)8/h5H,3-4H2,1-2H3;2*3-4H2,1-2H3
InChIKeyWBTIOFYWFXEGMZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.45
Rot. Bonds

About bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one

bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one (PubChem CID 161460634) has the molecular formula C16H31N5O3 and a molecular weight of 341.46 g/mol. Its IUPAC name is bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Namebis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one
PubChem CID161460634
Molecular FormulaC16H31N5O3
Molecular Weight341.46 g/mol
Exact Mass341.24
IUPAC Namebis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one
SMILESCC1CCN(C)C1=O.CN1CCN(C)C1=O.CN1CCN(C)C1=O
InChIInChI=1S/C6H11NO.2C5H10N2O/c1-5-3-4-7(2)6(5)8;2*1-6-3-4-7(2)5(6)8/h5H,3-4H2,1-2H3;2*3-4H2,1-2H3
InChIKeyWBTIOFYWFXEGMZ-UHFFFAOYSA-N
XLogP0.45
TPSA67.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Bis(succinimidomethyl)imidazolidine
CID 1521677
1-[1-[Bis[1-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]pyrrolidine-2,5-dione
CID 18758823
1,3-Dimethylimidazolidin-2-one;1-methylpyrrolidin-2-one
CID 68649710
1,3-Dimethylimidazolidin-2-one;1-ethylpyrrolidin-2-one
CID 90027470
1-[2-[Bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione
CID 135219566
Bis(1,4-dimethylpyrrolidin-2-one);1-methylpyrrolidin-2-one
CID 144898071
Hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
CID 158134222
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 158949460
1-Butyl-3-methylpyrrolidine-2,5-dione;3-methyl-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 159504382
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
CID 160681254
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 160955202

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one?
The IUPAC name of bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one (CID 161460634) is bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one is CC1CCN(C)C1=O.CN1CCN(C)C1=O.CN1CCN(C)C1=O.
What is the InChIKey of bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one?
The InChIKey is WBTIOFYWFXEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.2C5H10N2O/c1-5-3-4-7(2)6(5)8;2*1-6-3-4-7(2)5(6)8/h5H,3-4H2,1-2H3;2*3-4H2,1-2H3.
What are the key properties of bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one?
bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 161460634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).