2,2,4,4-tetradeuterio-1-nitrosoazetidine

C3H6N2O — CID 56634615

IUPAC2,2,4,4-tetradeuterio-1-nitrosoazetidine
SMILES[2H]C1([2H])CC([2H])([2H])N1N=O
InChIInChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2/i2D2,3D2
InChIKeySNKTZBNDUVWOAZ-RRVWJQJTSA-N
MW90.12 g/mol
LogP0.37
Rot. Bonds1

About 2,2,4,4-tetradeuterio-1-nitrosoazetidine

2,2,4,4-tetradeuterio-1-nitrosoazetidine (PubChem CID 56634615) has the molecular formula C3H6N2O and a molecular weight of 90.12 g/mol. Its IUPAC name is 2,2,4,4-tetradeuterio-1-nitrosoazetidine.

Molecular Properties

Compound Name2,2,4,4-tetradeuterio-1-nitrosoazetidine
PubChem CID56634615
Molecular FormulaC3H6N2O
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name2,2,4,4-tetradeuterio-1-nitrosoazetidine
SMILES[2H]C1([2H])CC([2H])([2H])N1N=O
InChIInChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2/i2D2,3D2
InChIKeySNKTZBNDUVWOAZ-RRVWJQJTSA-N
XLogP0.37
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetradeuterio-1-nitrosoazetidine?
The IUPAC name of 2,2,4,4-tetradeuterio-1-nitrosoazetidine (CID 56634615) is 2,2,4,4-tetradeuterio-1-nitrosoazetidine.
What is the SMILES notation for 2,2,4,4-tetradeuterio-1-nitrosoazetidine?
The canonical SMILES for 2,2,4,4-tetradeuterio-1-nitrosoazetidine is [2H]C1([2H])CC([2H])([2H])N1N=O.
What is the InChIKey of 2,2,4,4-tetradeuterio-1-nitrosoazetidine?
The InChIKey is SNKTZBNDUVWOAZ-RRVWJQJTSA-N. The full InChI is InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2/i2D2,3D2.
What are the key properties of 2,2,4,4-tetradeuterio-1-nitrosoazetidine?
2,2,4,4-tetradeuterio-1-nitrosoazetidine has a molecular weight of 90.12 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetradeuterio-1-nitrosoazetidine is sourced from PubChem (CID 56634615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).