3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione

C7H11N3O2 — CID 83816103

IUPAC3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(C2CNC2)C1=O
InChIInChI=1S/C7H11N3O2/c1-9-4-6(11)10(7(9)12)5-2-8-3-5/h5,8H,2-4H2,1H3
InChIKeyUPTRLUSYPVOLDN-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.15
Rot. Bonds1

About 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione

3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione (PubChem CID 83816103) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
PubChem CID83816103
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(C2CNC2)C1=O
InChIInChI=1S/C7H11N3O2/c1-9-4-6(11)10(7(9)12)5-2-8-3-5/h5,8H,2-4H2,1H3
InChIKeyUPTRLUSYPVOLDN-UHFFFAOYSA-N
XLogP-1.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546342
3-(2-aminocyclohexyl)-1-methylimidazolidine-2,4-dione
CID 83820954
1-(azetidin-3-yl)pyrrole-2,5-dione;hydrochloride
CID 155821172
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-(azetidin-3-yl)imidazolidine-2,4,5-trione
CID 121208937
2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
CID 103430966
3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one
CID 168858701
3-cyclohexyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 4103141
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723
1,3-dimethylimidazolidine-2,4-dione;1,3-dimethyl-4-methylideneimidazolidin-2-one
CID 159940640
5-methyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 14158887

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione (CID 83816103) is 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(C2CNC2)C1=O.
What is the InChIKey of 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione?
The InChIKey is UPTRLUSYPVOLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-9-4-6(11)10(7(9)12)5-2-8-3-5/h5,8H,2-4H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione?
3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 83816103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).