1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one

C8H14N2O2 — CID 121376797

IUPAC1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one
SMILESCC(=O)CC1N(C)CC(=O)N1C
InChIInChI=1S/C8H14N2O2/c1-6(11)4-7-9(2)5-8(12)10(7)3/h7H,4-5H2,1-3H3
InChIKeyQNEISBTVARYQGO-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.30
Rot. Bonds2

About 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one

1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one (PubChem CID 121376797) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one
PubChem CID121376797
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one
SMILESCC(=O)CC1N(C)CC(=O)N1C
InChIInChI=1S/C8H14N2O2/c1-6(11)4-7-9(2)5-8(12)10(7)3/h7H,4-5H2,1-3H3
InChIKeyQNEISBTVARYQGO-UHFFFAOYSA-N
XLogP-0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one?
The IUPAC name of 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one (CID 121376797) is 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one.
What is the SMILES notation for 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one?
The canonical SMILES for 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one is CC(=O)CC1N(C)CC(=O)N1C.
What is the InChIKey of 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one?
The InChIKey is QNEISBTVARYQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(11)4-7-9(2)5-8(12)10(7)3/h7H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one?
1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one has a molecular weight of 170.21 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one is sourced from PubChem (CID 121376797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).