2-chloro-1-oxidoazetidine

C3H5ClNO- — CID 87525838

IUPAC2-chloro-1-oxidoazetidine
SMILES[O-]N1CCC1Cl
InChIInChI=1S/C3H5ClNO/c4-3-1-2-5(3)6/h3H,1-2H2/q-1
InChIKeyDZPZWELHCVTXER-UHFFFAOYSA-N
MW106.53 g/mol
LogP0.75
Rot. Bonds

About 2-chloro-1-oxidoazetidine

2-chloro-1-oxidoazetidine (PubChem CID 87525838) has the molecular formula C3H5ClNO- and a molecular weight of 106.53 g/mol. Its IUPAC name is 2-chloro-1-oxidoazetidine.

Molecular Properties

Compound Name2-chloro-1-oxidoazetidine
PubChem CID87525838
Molecular FormulaC3H5ClNO-
Molecular Weight106.53 g/mol
Exact Mass106.01
IUPAC Name2-chloro-1-oxidoazetidine
SMILES[O-]N1CCC1Cl
InChIInChI=1S/C3H5ClNO/c4-3-1-2-5(3)6/h3H,1-2H2/q-1
InChIKeyDZPZWELHCVTXER-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.53
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-oxidoazetidine?
The IUPAC name of 2-chloro-1-oxidoazetidine (CID 87525838) is 2-chloro-1-oxidoazetidine.
What is the SMILES notation for 2-chloro-1-oxidoazetidine?
The canonical SMILES for 2-chloro-1-oxidoazetidine is [O-]N1CCC1Cl.
What is the InChIKey of 2-chloro-1-oxidoazetidine?
The InChIKey is DZPZWELHCVTXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClNO/c4-3-1-2-5(3)6/h3H,1-2H2/q-1.
What are the key properties of 2-chloro-1-oxidoazetidine?
2-chloro-1-oxidoazetidine has a molecular weight of 106.53 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-oxidoazetidine is sourced from PubChem (CID 87525838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).