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

C10H17NO3 — CID 101241295

IUPAC3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-8(2)7-9(12)11-5-6-14-10(11)13/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMZKXFOSAEVPSSY-MRVPVSSYSA-N
MW199.25 g/mol
LogP1.79
Rot. Bonds4

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

3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 101241295) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one
PubChem CID101241295
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-8(2)7-9(12)11-5-6-14-10(11)13/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMZKXFOSAEVPSSY-MRVPVSSYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one (CID 101241295) is 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one is CCC[C@@H](C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MZKXFOSAEVPSSY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-8(2)7-9(12)11-5-6-14-10(11)13/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101241295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).