4-propan-2-ylimidazolidin-2-one

C6H12N2O — CID 22218817

IUPAC4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CNC(=O)N1
InChIInChI=1S/C6H12N2O/c1-4(2)5-3-7-6(9)8-5/h4-5H,3H2,1-2H3,(H2,7,8,9)
InChIKeyFFLVDROJJYOUPY-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.32
Rot. Bonds1

About 4-propan-2-ylimidazolidin-2-one

4-propan-2-ylimidazolidin-2-one (PubChem CID 22218817) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-ylimidazolidin-2-one
PubChem CID22218817
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name4-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1CNC(=O)N1
InChIInChI=1S/C6H12N2O/c1-4(2)5-3-7-6(9)8-5/h4-5H,3H2,1-2H3,(H2,7,8,9)
InChIKeyFFLVDROJJYOUPY-UHFFFAOYSA-N
XLogP0.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylimidazolidin-2-one?
The IUPAC name of 4-propan-2-ylimidazolidin-2-one (CID 22218817) is 4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 4-propan-2-ylimidazolidin-2-one is CC(C)C1CNC(=O)N1.
What is the InChIKey of 4-propan-2-ylimidazolidin-2-one?
The InChIKey is FFLVDROJJYOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)5-3-7-6(9)8-5/h4-5H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of 4-propan-2-ylimidazolidin-2-one?
4-propan-2-ylimidazolidin-2-one has a molecular weight of 128.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 22218817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).