3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione

C11H15N3O3 — CID 119099993

IUPAC3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(C1CCC1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C11H15N3O3/c15-9-4-12-11(17)14(9)8-5-13(6-8)10(16)7-2-1-3-7/h7-8H,1-6H2,(H,12,17)
InChIKeyIOYKHJJOOKRYBT-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.45
Rot. Bonds2

About 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 119099993) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID119099993
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(C1CCC1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C11H15N3O3/c15-9-4-12-11(17)14(9)8-5-13(6-8)10(16)7-2-1-3-7/h7-8H,1-6H2,(H,12,17)
InChIKeyIOYKHJJOOKRYBT-UHFFFAOYSA-N
XLogP-0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 119099993) is 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione is O=C(C1CCC1)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is IOYKHJJOOKRYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-4-12-11(17)14(9)8-5-13(6-8)10(16)7-2-1-3-7/h7-8H,1-6H2,(H,12,17).
What are the key properties of 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 119099993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).