4,4,5,5-tetradeuterioimidazolidin-2-one

C3H6N2O — CID 45039203

IUPAC4,4,5,5-tetradeuterioimidazolidin-2-one
SMILES[2H]C1([2H])NC(=O)NC1([2H])[2H]
InChIInChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)/i1D2,2D2
InChIKeyYAMHXTCMCPHKLN-LNLMKGTHSA-N
MW90.12 g/mol
LogP-0.70
Rot. Bonds

About 4,4,5,5-tetradeuterioimidazolidin-2-one

4,4,5,5-tetradeuterioimidazolidin-2-one (PubChem CID 45039203) has the molecular formula C3H6N2O and a molecular weight of 90.12 g/mol. Its IUPAC name is 4,4,5,5-tetradeuterioimidazolidin-2-one.

Molecular Properties

Compound Name4,4,5,5-tetradeuterioimidazolidin-2-one
PubChem CID45039203
Molecular FormulaC3H6N2O
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name4,4,5,5-tetradeuterioimidazolidin-2-one
SMILES[2H]C1([2H])NC(=O)NC1([2H])[2H]
InChIInChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)/i1D2,2D2
InChIKeyYAMHXTCMCPHKLN-LNLMKGTHSA-N
XLogP-0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetradeuterioimidazolidin-2-one?
The IUPAC name of 4,4,5,5-tetradeuterioimidazolidin-2-one (CID 45039203) is 4,4,5,5-tetradeuterioimidazolidin-2-one.
What is the SMILES notation for 4,4,5,5-tetradeuterioimidazolidin-2-one?
The canonical SMILES for 4,4,5,5-tetradeuterioimidazolidin-2-one is [2H]C1([2H])NC(=O)NC1([2H])[2H].
What is the InChIKey of 4,4,5,5-tetradeuterioimidazolidin-2-one?
The InChIKey is YAMHXTCMCPHKLN-LNLMKGTHSA-N. The full InChI is InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)/i1D2,2D2.
What are the key properties of 4,4,5,5-tetradeuterioimidazolidin-2-one?
4,4,5,5-tetradeuterioimidazolidin-2-one has a molecular weight of 90.12 g/mol, XLogP of -0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetradeuterioimidazolidin-2-one is sourced from PubChem (CID 45039203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).