2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde

C8H13NO3 — CID 58821279

IUPAC2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
SMILESCC(C)[C@@H]1COC(=O)N1CC=O
InChIInChI=1S/C8H13NO3/c1-6(2)7-5-12-8(11)9(7)3-4-10/h4,6-7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeySDWRHHYTZZBIHO-ZETCQYMHSA-N
MW171.20 g/mol
LogP0.66
Rot. Bonds3

About 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde

2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde (PubChem CID 58821279) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
PubChem CID58821279
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde
SMILESCC(C)[C@@H]1COC(=O)N1CC=O
InChIInChI=1S/C8H13NO3/c1-6(2)7-5-12-8(11)9(7)3-4-10/h4,6-7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeySDWRHHYTZZBIHO-ZETCQYMHSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde?
The IUPAC name of 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde (CID 58821279) is 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde?
The canonical SMILES for 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde is CC(C)[C@@H]1COC(=O)N1CC=O.
What is the InChIKey of 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde?
The InChIKey is SDWRHHYTZZBIHO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)7-5-12-8(11)9(7)3-4-10/h4,6-7H,3,5H2,1-2H3/t7-/m0/s1.
What are the key properties of 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde?
2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde has a molecular weight of 171.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetaldehyde is sourced from PubChem (CID 58821279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).