3-(oxan-3-yl)imidazolidin-4-one

C8H14N2O2 — CID 83263370

IUPAC3-(oxan-3-yl)imidazolidin-4-one
SMILESO=C1CNCN1C1CCCOC1
InChIInChI=1S/C8H14N2O2/c11-8-4-9-6-10(8)7-2-1-3-12-5-7/h7,9H,1-6H2
InChIKeyRXSWOJUYMHTUEH-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.45
Rot. Bonds1

About 3-(oxan-3-yl)imidazolidin-4-one

3-(oxan-3-yl)imidazolidin-4-one (PubChem CID 83263370) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(oxan-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(oxan-3-yl)imidazolidin-4-one
PubChem CID83263370
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(oxan-3-yl)imidazolidin-4-one
SMILESO=C1CNCN1C1CCCOC1
InChIInChI=1S/C8H14N2O2/c11-8-4-9-6-10(8)7-2-1-3-12-5-7/h7,9H,1-6H2
InChIKeyRXSWOJUYMHTUEH-UHFFFAOYSA-N
XLogP-0.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)imidazolidin-4-one?
The IUPAC name of 3-(oxan-3-yl)imidazolidin-4-one (CID 83263370) is 3-(oxan-3-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(oxan-3-yl)imidazolidin-4-one?
The canonical SMILES for 3-(oxan-3-yl)imidazolidin-4-one is O=C1CNCN1C1CCCOC1.
What is the InChIKey of 3-(oxan-3-yl)imidazolidin-4-one?
The InChIKey is RXSWOJUYMHTUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8-4-9-6-10(8)7-2-1-3-12-5-7/h7,9H,1-6H2.
What are the key properties of 3-(oxan-3-yl)imidazolidin-4-one?
3-(oxan-3-yl)imidazolidin-4-one has a molecular weight of 170.21 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83263370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).