3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one

C9H15NO3 — CID 11954792

IUPAC3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-3-7(2)6-8(11)10-4-5-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyFMZZECGXPMZKLI-SSDOTTSWSA-N
MW185.22 g/mol
LogP1.40
Rot. Bonds3

About 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one (PubChem CID 11954792) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one
PubChem CID11954792
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one
SMILESCC[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3/c1-3-7(2)6-8(11)10-4-5-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyFMZZECGXPMZKLI-SSDOTTSWSA-N
XLogP1.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one (CID 11954792) is 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one is CC[C@@H](C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is FMZZECGXPMZKLI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7(2)6-8(11)10-4-5-13-9(10)12/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylpentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11954792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).