2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde

C11H11NO3 — CID 57444342

IUPAC2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
SMILESO=CCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C11H11NO3/c13-6-4-9-2-1-3-10(8-9)12-5-7-15-11(12)14/h1-3,6,8H,4-5,7H2
InChIKeyZHQJMRCIGGADLN-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.38
Rot. Bonds3

About 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde

2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde (PubChem CID 57444342) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
PubChem CID57444342
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
SMILESO=CCc1cccc(N2CCOC2=O)c1
InChIInChI=1S/C11H11NO3/c13-6-4-9-2-1-3-10(8-9)12-5-7-15-11(12)14/h1-3,6,8H,4-5,7H2
InChIKeyZHQJMRCIGGADLN-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.38
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-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde?
The IUPAC name of 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde (CID 57444342) is 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde?
The canonical SMILES for 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde is O=CCc1cccc(N2CCOC2=O)c1.
What is the InChIKey of 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde?
The InChIKey is ZHQJMRCIGGADLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-6-4-9-2-1-3-10(8-9)12-5-7-15-11(12)14/h1-3,6,8H,4-5,7H2.
What are the key properties of 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde?
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde is sourced from PubChem (CID 57444342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).