1-nitrosoazetidine

C3H6N2O — CID 27135

IUPAC1-nitrosoazetidine
SMILESO=NN1CCC1
InChIInChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2
InChIKeySNKTZBNDUVWOAZ-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.37
Rot. Bonds1

About 1-nitrosoazetidine

1-nitrosoazetidine (PubChem CID 27135) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is 1-nitrosoazetidine.

Molecular Properties

Compound Name1-nitrosoazetidine
PubChem CID27135
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Name1-nitrosoazetidine
SMILESO=NN1CCC1
InChIInChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2
InChIKeySNKTZBNDUVWOAZ-UHFFFAOYSA-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 ≤ 50086.09
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-nitrosoazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-nitrosoazetidine?
The IUPAC name of 1-nitrosoazetidine (CID 27135) is 1-nitrosoazetidine.
What is the SMILES notation for 1-nitrosoazetidine?
The canonical SMILES for 1-nitrosoazetidine is O=NN1CCC1.
What is the InChIKey of 1-nitrosoazetidine?
The InChIKey is SNKTZBNDUVWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2.
What are the key properties of 1-nitrosoazetidine?
1-nitrosoazetidine has a molecular weight of 86.09 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 1-nitrosoazetidine is sourced from PubChem (CID 27135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).