(4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one

C9H15NO3 — CID 15369461

IUPAC(4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(C)(C)[C@@H]1C
InChIInChI=1S/C9H15NO3/c1-5-7(11)10-6(2)9(3,4)13-8(10)12/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyUVSMGENTBXPUIQ-LURJTMIESA-N
MW185.22 g/mol
LogP1.54
Rot. Bonds1

About (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one

(4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 15369461) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID15369461
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(C)(C)[C@@H]1C
InChIInChI=1S/C9H15NO3/c1-5-7(11)10-6(2)9(3,4)13-8(10)12/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyUVSMGENTBXPUIQ-LURJTMIESA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one (CID 15369461) is (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC(C)(C)[C@@H]1C.
What is the InChIKey of (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is UVSMGENTBXPUIQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO3/c1-5-7(11)10-6(2)9(3,4)13-8(10)12/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one?
(4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5,5-trimethyl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15369461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).