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

C12H21N3O2 — CID 121183971

IUPAC3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)(C)CCN1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)4-5-14-7-9(8-14)15-10(16)6-13-11(15)17/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyINZQNBGVHOTGCF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.66
Rot. Bonds3

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

3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121183971) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121183971
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCC(C)(C)CCN1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)4-5-14-7-9(8-14)15-10(16)6-13-11(15)17/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyINZQNBGVHOTGCF-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.66
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-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121183971) is 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione is CC(C)(C)CCN1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is INZQNBGVHOTGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)4-5-14-7-9(8-14)15-10(16)6-13-11(15)17/h9H,4-8H2,1-3H3,(H,13,17).
What are the key properties of 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3-dimethylbutyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121183971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).