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

C7H12ClNO2 — CID 19836739

IUPAC4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCCC(Cl)C1COC(=O)N1C
InChIInChI=1S/C7H12ClNO2/c1-3-5(8)6-4-11-7(10)9(6)2/h5-6H,3-4H2,1-2H3
InChIKeyMUMSBDBPQSCCDX-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.45
Rot. Bonds2

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

4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 19836739) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID19836739
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCCC(Cl)C1COC(=O)N1C
InChIInChI=1S/C7H12ClNO2/c1-3-5(8)6-4-11-7(10)9(6)2/h5-6H,3-4H2,1-2H3
InChIKeyMUMSBDBPQSCCDX-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.45
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-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one (CID 19836739) is 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one is CCC(Cl)C1COC(=O)N1C.
What is the InChIKey of 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is MUMSBDBPQSCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-3-5(8)6-4-11-7(10)9(6)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one?
4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 177.63 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 19836739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).