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

C9H14BrNO3 — CID 10923394

IUPAC(4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Br)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H14BrNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyMNJZLTZJKSZFJF-COBSHVIPSA-N
MW264.12 g/mol
LogP1.77
Rot. Bonds2

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

(4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10923394) has the molecular formula C9H14BrNO3 and a molecular weight of 264.12 g/mol. Its IUPAC name is (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10923394
Molecular FormulaC9H14BrNO3
Molecular Weight264.12 g/mol
Exact Mass263.02
IUPAC Name(4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Br)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C9H14BrNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3/t6?,7-/m1/s1
InChIKeyMNJZLTZJKSZFJF-COBSHVIPSA-N
XLogP1.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 51.77
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-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10923394) is (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Br)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is MNJZLTZJKSZFJF-COBSHVIPSA-N. The full InChI is InChI=1S/C9H14BrNO3/c1-5(2)7-4-14-9(13)11(7)8(12)6(3)10/h5-7H,4H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 264.12 g/mol, XLogP of 1.77, 2 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-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10923394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).