4-methyl-1-(3-oxobutyl)imidazolidin-2-one

C8H14N2O2 — CID 116980530

IUPAC4-methyl-1-(3-oxobutyl)imidazolidin-2-one
SMILESCC(=O)CCN1CC(C)NC1=O
InChIInChI=1S/C8H14N2O2/c1-6-5-10(8(12)9-6)4-3-7(2)11/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeyYADIAPDMJLAUDL-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.38
Rot. Bonds3

About 4-methyl-1-(3-oxobutyl)imidazolidin-2-one

4-methyl-1-(3-oxobutyl)imidazolidin-2-one (PubChem CID 116980530) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-methyl-1-(3-oxobutyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-oxobutyl)imidazolidin-2-one
PubChem CID116980530
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-methyl-1-(3-oxobutyl)imidazolidin-2-one
SMILESCC(=O)CCN1CC(C)NC1=O
InChIInChI=1S/C8H14N2O2/c1-6-5-10(8(12)9-6)4-3-7(2)11/h6H,3-5H2,1-2H3,(H,9,12)
InChIKeyYADIAPDMJLAUDL-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-oxobutyl)-4-propylimidazolidin-2-one
CID 116980526
1-(hydroxymethyl)-4-methylimidazolidin-2-one
CID 19917368
4-(5-methylfuran-2-yl)-1-(3-oxobutyl)imidazolidin-2-one
CID 116980562
1-(3-amino-3-methylbutyl)-4-methylimidazolidin-2-one
CID 116978853
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 126971671
ethane;4-methyl-1-(3-oxobutyl)pyrrolidin-2-one
CID 168988048
4-methyl-1-(3-piperazin-1-ylpropyl)imidazolidin-2-one
CID 116980787
3-(4-ethyl-2-oxoimidazolidin-1-yl)propanoic acid
CID 116979499
methyl 3-(4-tert-butyl-2-oxoimidazolidin-1-yl)propanoate
CID 116980353
1-methyl-3-(5-oxohexyl)imidazolidin-2-one
CID 62491497
2-[(5S)-5-methyl-2,3-dioxopiperazin-1-yl]ethyl carbamate
CID 175102268
methyl 3-(2-oxo-4-propan-2-ylimidazolidin-1-yl)propanoate
CID 116980354

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-oxobutyl)imidazolidin-2-one?
The IUPAC name of 4-methyl-1-(3-oxobutyl)imidazolidin-2-one (CID 116980530) is 4-methyl-1-(3-oxobutyl)imidazolidin-2-one.
What is the SMILES notation for 4-methyl-1-(3-oxobutyl)imidazolidin-2-one?
The canonical SMILES for 4-methyl-1-(3-oxobutyl)imidazolidin-2-one is CC(=O)CCN1CC(C)NC1=O.
What is the InChIKey of 4-methyl-1-(3-oxobutyl)imidazolidin-2-one?
The InChIKey is YADIAPDMJLAUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6-5-10(8(12)9-6)4-3-7(2)11/h6H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 4-methyl-1-(3-oxobutyl)imidazolidin-2-one?
4-methyl-1-(3-oxobutyl)imidazolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-oxobutyl)imidazolidin-2-one is sourced from PubChem (CID 116980530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).