(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one

C7H10BrNO3 — CID 139669340

IUPAC(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC(Br)C(=O)N1C(=O)OC[C@@H]1C
InChIInChI=1S/C7H10BrNO3/c1-4-3-12-7(11)9(4)6(10)5(2)8/h4-5H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyJNWSJYIFJYZGAK-ROLXFIACSA-N
MW236.06 g/mol
LogP1.14
Rot. Bonds1

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

(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 139669340) has the molecular formula C7H10BrNO3 and a molecular weight of 236.06 g/mol. Its IUPAC name is (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID139669340
Molecular FormulaC7H10BrNO3
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC(Br)C(=O)N1C(=O)OC[C@@H]1C
InChIInChI=1S/C7H10BrNO3/c1-4-3-12-7(11)9(4)6(10)5(2)8/h4-5H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyJNWSJYIFJYZGAK-ROLXFIACSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one (CID 139669340) is (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one is CC(Br)C(=O)N1C(=O)OC[C@@H]1C.
What is the InChIKey of (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is JNWSJYIFJYZGAK-ROLXFIACSA-N. The full InChI is InChI=1S/C7H10BrNO3/c1-4-3-12-7(11)9(4)6(10)5(2)8/h4-5H,3H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one?
(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 236.06 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139669340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).