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

C9H16ClNO2 — CID 19612530

IUPAC3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCCC1COC(=O)N1CCCCl
InChIInChI=1S/C9H16ClNO2/c1-2-4-8-7-13-9(12)11(8)6-3-5-10/h8H,2-7H2,1H3
InChIKeyFNEZIYKHKMBHMG-UHFFFAOYSA-N
MW205.68 g/mol
LogP2.24
Rot. Bonds5

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

3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one (PubChem CID 19612530) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one
PubChem CID19612530
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Name3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one
SMILESCCCC1COC(=O)N1CCCCl
InChIInChI=1S/C9H16ClNO2/c1-2-4-8-7-13-9(12)11(8)6-3-5-10/h8H,2-7H2,1H3
InChIKeyFNEZIYKHKMBHMG-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 52.24
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 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one (CID 19612530) is 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one is CCCC1COC(=O)N1CCCCl.
What is the InChIKey of 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one?
The InChIKey is FNEZIYKHKMBHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-2-4-8-7-13-9(12)11(8)6-3-5-10/h8H,2-7H2,1H3.
What are the key properties of 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one?
3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one has a molecular weight of 205.68 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-4-propyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19612530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).