1,3-diacetylimidazolidin-2-one

C7H10N2O3 — CID 538355

IUPAC1,3-diacetylimidazolidin-2-one
SMILESCC(=O)N1CCN(C(C)=O)C1=O
InChIInChI=1S/C7H10N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-4H2,1-2H3
InChIKeyPAFPWEIHSLHEJT-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.18
Rot. Bonds

About 1,3-diacetylimidazolidin-2-one

1,3-diacetylimidazolidin-2-one (PubChem CID 538355) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1,3-diacetylimidazolidin-2-one.

Molecular Properties

Compound Name1,3-diacetylimidazolidin-2-one
PubChem CID538355
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1,3-diacetylimidazolidin-2-one
SMILESCC(=O)N1CCN(C(C)=O)C1=O
InChIInChI=1S/C7H10N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-4H2,1-2H3
InChIKeyPAFPWEIHSLHEJT-UHFFFAOYSA-N
XLogP-0.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diacetylimidazolidin-2-one?
The IUPAC name of 1,3-diacetylimidazolidin-2-one (CID 538355) is 1,3-diacetylimidazolidin-2-one.
What is the SMILES notation for 1,3-diacetylimidazolidin-2-one?
The canonical SMILES for 1,3-diacetylimidazolidin-2-one is CC(=O)N1CCN(C(C)=O)C1=O.
What is the InChIKey of 1,3-diacetylimidazolidin-2-one?
The InChIKey is PAFPWEIHSLHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(10)8-3-4-9(6(2)11)7(8)12/h3-4H2,1-2H3.
What are the key properties of 1,3-diacetylimidazolidin-2-one?
1,3-diacetylimidazolidin-2-one has a molecular weight of 170.17 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diacetylimidazolidin-2-one is sourced from PubChem (CID 538355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).