ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one

C16H33N3O2 — CID 158646811

IUPACethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
SMILESCC.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O
InChIInChI=1S/C7H14N2O.C7H13NO.C2H6/c1-6(2)9-5-4-8(3)7(9)10;1-6(2)8-5-3-4-7(8)9;1-2/h6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;1-2H3
InChIKeyIBBJWYQHOUGQDD-UHFFFAOYSA-N
MW299.46 g/mol
LogP2.81
Rot. Bonds2

About ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one

ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one (PubChem CID 158646811) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
PubChem CID158646811
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nameethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one
SMILESCC.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O
InChIInChI=1S/C7H14N2O.C7H13NO.C2H6/c1-6(2)9-5-4-8(3)7(9)10;1-6(2)8-5-3-4-7(8)9;1-2/h6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;1-2H3
InChIKeyIBBJWYQHOUGQDD-UHFFFAOYSA-N
XLogP2.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1'-Ethylidenedi-2-pyrrolidinone
CID 13379697
1,1'-(Propane-1,2-diyl)di(pyrrolidin-2-one)
CID 13710694
1-[1-(2-Oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
CID 13742343
Dimethyl-[2-[methyl-octadecyl-[(2-oxopyrrolidin-1-yl)methyl]azaniumyl]propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium
CID 19837411
Dimethyl-[2-[methyl-di(propan-2-yl)azaniumyl]ethyl]-(1-methyl-2-oxopyrrolidin-1-ium-1-carbonyl)azanium
CID 21299608
1,3-Bis[2-(2-oxopyrrolidin-1-yl)propyl]urea
CID 23348575
1,3-Bis[2-(2-oxopyrrolidin-1-yl)butyl]urea
CID 23348610
CID 60073315
CID 60073315
1,3-Dimethylimidazolidin-2-one;1-methylpyrrolidin-2-one
CID 68649710
1-[2-(2-Oxopyrrolidin-1-yl)butan-2-yl]pyrrolidin-2-one
CID 68731739
1,3-Dimethylimidazolidin-2-one;1-ethylpyrrolidin-2-one
CID 90027470
1-(1-Acetylpyrrolidin-2-yl)pyrrolidin-2-one
CID 91117482

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one (CID 158646811) is ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one is CC.CC(C)N1CCCC1=O.CC(C)N1CCN(C)C1=O.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is IBBJWYQHOUGQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C7H13NO.C2H6/c1-6(2)9-5-4-8(3)7(9)10;1-6(2)8-5-3-4-7(8)9;1-2/h6H,4-5H2,1-3H3;6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one?
ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 299.46 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylimidazolidin-2-one;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 158646811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).