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

C8H14ClNO2 — CID 57008625

IUPAC3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1CCCCl
InChIInChI=1S/C8H14ClNO2/c1-2-7-6-12-8(11)10(7)5-3-4-9/h7H,2-6H2,1H3
InChIKeyKLOLJHTYCRNPOD-UHFFFAOYSA-N
MW191.66 g/mol
LogP1.85
Rot. Bonds4

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

3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 57008625) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
PubChem CID57008625
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one
SMILESCCC1COC(=O)N1CCCCl
InChIInChI=1S/C8H14ClNO2/c1-2-7-6-12-8(11)10(7)5-3-4-9/h7H,2-6H2,1H3
InChIKeyKLOLJHTYCRNPOD-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.85
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-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one (CID 57008625) is 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one is CCC1COC(=O)N1CCCCl.
What is the InChIKey of 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is KLOLJHTYCRNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-2-7-6-12-8(11)10(7)5-3-4-9/h7H,2-6H2,1H3.
What are the key properties of 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one?
3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 191.66 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57008625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).