(4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione

C6H9NO3 — CID 637765

IUPAC(4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@H]1NC(=O)OC1=O
InChIInChI=1S/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)/t4-/m1/s1
InChIKeyXNCNNYXFGGTEMT-SCSAIBSYSA-N
MW143.14 g/mol
LogP0.28
Rot. Bonds1

About (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione

(4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione (PubChem CID 637765) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione
PubChem CID637765
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione
SMILESCC(C)[C@H]1NC(=O)OC1=O
InChIInChI=1S/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)/t4-/m1/s1
InChIKeyXNCNNYXFGGTEMT-SCSAIBSYSA-N
XLogP0.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Isopropyloxazolidine-2,5-dione
CID 102885
(4R)-4-(Propan-2-yl)-1,3-oxazolidin-2-one
CID 641505
(4S)-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 7157133
(S)-4-isopropyloxazolidine-2,5-dione
CID 100167
2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
CID 9898854
(S)-4-Methyloxazolidine-2,5-dione
CID 10996998
(S)-4-isobutyloxazolidine-2,5-dione
CID 10236023
4-Ethyl-4-methyl-1,3-oxazolidine-2,5-dione
CID 235132
2-Oxazolidinone, 4-(1-methylethyl)-
CID 519353
(R)-4-Isobutyloxazolidine-2,5-dione
CID 637769
4-Methyl-2,5-oxazolidinedione
CID 70938
(R)-4-Methyloxazolidine-2,5-dione
CID 2759968

Frequently Asked Questions

What is the IUPAC name of (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione (CID 637765) is (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione is CC(C)[C@H]1NC(=O)OC1=O.
What is the InChIKey of (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
The InChIKey is XNCNNYXFGGTEMT-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3(2)4-5(8)10-6(9)7-4/h3-4H,1-2H3,(H,7,9)/t4-/m1/s1.
What are the key properties of (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione?
(4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione has a molecular weight of 143.14 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-propan-2-yl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 637765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).