4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one

C7H12ClNO2 — CID 54539155

IUPAC4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1CCCCl
InChIInChI=1S/C7H12ClNO2/c1-9-6(3-2-4-8)5-11-7(9)10/h6H,2-5H2,1H3
InChIKeyZBXBFKSGQSWWAY-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.46
Rot. Bonds3

About 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one

4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 54539155) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID54539155
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1CCCCl
InChIInChI=1S/C7H12ClNO2/c1-9-6(3-2-4-8)5-11-7(9)10/h6H,2-5H2,1H3
InChIKeyZBXBFKSGQSWWAY-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one (CID 54539155) is 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1CCCCl.
What is the InChIKey of 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is ZBXBFKSGQSWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-9-6(3-2-4-8)5-11-7(9)10/h6H,2-5H2,1H3.
What are the key properties of 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 177.63 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 54539155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).