3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione

C12H19N3O2 — CID 103936509

IUPAC3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
SMILESCN1C2CCCC1CC(N1C(=O)CNC1=O)C2
InChIInChI=1S/C12H19N3O2/c1-14-8-3-2-4-9(14)6-10(5-8)15-11(16)7-13-12(15)17/h8-10H,2-7H2,1H3,(H,13,17)
InChIKeyCSVZGYGYCGDJPB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.55
Rot. Bonds1

About 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione

3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione (PubChem CID 103936509) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
PubChem CID103936509
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione
SMILESCN1C2CCCC1CC(N1C(=O)CNC1=O)C2
InChIInChI=1S/C12H19N3O2/c1-14-8-3-2-4-9(14)6-10(5-8)15-11(16)7-13-12(15)17/h8-10H,2-7H2,1H3,(H,13,17)
InChIKeyCSVZGYGYCGDJPB-UHFFFAOYSA-N
XLogP0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
3-(3-aminocyclopentyl)imidazolidine-2,4-dione
CID 83817207
3-(1,1-dioxothian-3-yl)imidazolidine-2,4-dione
CID 103936410
3-[1-(1-cyclopropylethyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183992
4-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperazine-2,6-dione
CID 65472441
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-2,4-dione
CID 79515406
3-[(3R)-1,1-dioxothiolan-3-yl]imidazolidine-2,4-dione
CID 51721408
3-[1-(1-cyclopropylethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121184058
3-[1-(cyclobutanecarbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 119099993
3-[1-(2-methylpropyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183950
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160396
3-cyclohex-3-en-1-ylimidazolidine-2,4-dione
CID 103936459

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione (CID 103936509) is 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione is CN1C2CCCC1CC(N1C(=O)CNC1=O)C2.
What is the InChIKey of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione?
The InChIKey is CSVZGYGYCGDJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-8-3-2-4-9(14)6-10(5-8)15-11(16)7-13-12(15)17/h8-10H,2-7H2,1H3,(H,13,17).
What are the key properties of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione?
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 103936509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).