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

C12H17N3O3 — CID 121159463

IUPAC3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(C1CCCC1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C12H17N3O3/c16-10-5-13-12(18)15(10)9-6-14(7-9)11(17)8-3-1-2-4-8/h8-9H,1-7H2,(H,13,18)
InChIKeyJEKLCOIZOVOHEB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.06
Rot. Bonds2

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

3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159463) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159463
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(C1CCCC1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C12H17N3O3/c16-10-5-13-12(18)15(10)9-6-14(7-9)11(17)8-3-1-2-4-8/h8-9H,1-7H2,(H,13,18)
InChIKeyJEKLCOIZOVOHEB-UHFFFAOYSA-N
XLogP-0.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.06
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

3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119099993
3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159907
N-cyclohexyl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159553
N-(1-adamantyl)-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159557
4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813
3-[1-(5-methylthiophene-2-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119100037
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160396
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159893
3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184004
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
CID 103936509

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121159463) is 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione is O=C(C1CCCC1)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is JEKLCOIZOVOHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-5-13-12(18)15(10)9-6-14(7-9)11(17)8-3-1-2-4-8/h8-9H,1-7H2,(H,13,18).
What are the key properties of 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).