1,3-oxazolidine;propanoyl chloride;hydrochloride

C6H13Cl2NO2 — CID 174917206

IUPAC1,3-oxazolidine;propanoyl chloride;hydrochloride
SMILESC1COCN1.CCC(=O)Cl.Cl
InChIInChI=1S/C3H5ClO.C3H7NO.ClH/c1-2-3(4)5;1-2-5-3-4-1;/h2H2,1H3;4H,1-3H2;1H
InChIKeyHFQMZADYONGUET-UHFFFAOYSA-N
MW202.08 g/mol
LogP1.15
Rot. Bonds1

About 1,3-oxazolidine;propanoyl chloride;hydrochloride

1,3-oxazolidine;propanoyl chloride;hydrochloride (PubChem CID 174917206) has the molecular formula C6H13Cl2NO2 and a molecular weight of 202.08 g/mol. Its IUPAC name is 1,3-oxazolidine;propanoyl chloride;hydrochloride.

Molecular Properties

Compound Name1,3-oxazolidine;propanoyl chloride;hydrochloride
PubChem CID174917206
Molecular FormulaC6H13Cl2NO2
Molecular Weight202.08 g/mol
Exact Mass201.03
IUPAC Name1,3-oxazolidine;propanoyl chloride;hydrochloride
SMILESC1COCN1.CCC(=O)Cl.Cl
InChIInChI=1S/C3H5ClO.C3H7NO.ClH/c1-2-3(4)5;1-2-5-3-4-1;/h2H2,1H3;4H,1-3H2;1H
InChIKeyHFQMZADYONGUET-UHFFFAOYSA-N
XLogP1.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine;propanoyl chloride;hydrochloride?
The IUPAC name of 1,3-oxazolidine;propanoyl chloride;hydrochloride (CID 174917206) is 1,3-oxazolidine;propanoyl chloride;hydrochloride.
What is the SMILES notation for 1,3-oxazolidine;propanoyl chloride;hydrochloride?
The canonical SMILES for 1,3-oxazolidine;propanoyl chloride;hydrochloride is C1COCN1.CCC(=O)Cl.Cl.
What is the InChIKey of 1,3-oxazolidine;propanoyl chloride;hydrochloride?
The InChIKey is HFQMZADYONGUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.C3H7NO.ClH/c1-2-3(4)5;1-2-5-3-4-1;/h2H2,1H3;4H,1-3H2;1H.
What are the key properties of 1,3-oxazolidine;propanoyl chloride;hydrochloride?
1,3-oxazolidine;propanoyl chloride;hydrochloride has a molecular weight of 202.08 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine;propanoyl chloride;hydrochloride is sourced from PubChem (CID 174917206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).